<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">354664</id>
  <title nil="true"/>
  <common-name>1-n,4-n-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]-3-methoxyphenyl]benzene-1,4-dicarboxamide</common-name>
  <description>1-n,4-n-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]-3-methoxyphenyl]benzene-1,4-dicarboxamide is a compound with the formula C38H38N6O6+2. With an average molecular weight of 674.70 g/mol, 1-n,4-n-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]-3-methoxyphenyl]benzene-1,4-dicarboxamide is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>209036</pubchem-id>
  <chemical-formula>C38H38N6O6+2</chemical-formula>
  <weight>674.7</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T22:30:45Z</created-at>
  <updated-at type="dateTime">2026-08-31T22:30:45Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC[N+]1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CC)OC)OC</moldb-smiles>
  <moldb-formula>C38H38N6O6+2</moldb-formula>
  <moldb-inchi>InChI=1S/C38H36N6O6/c1-5-43-19-7-9-29(23-43)41-37(47)31-17-15-27(21-33(31)49-3)39-35(45)25-11-13-26(14-12-25)36(46)40-28-16-18-32(34(22-28)50-4)38(48)42-30-10-8-20-44(6-2)24-30/h7-24H,5-6H2,1-4H3,(H2-2,39,40,41,42,45,46,47,48)/p+2</moldb-inchi>
  <moldb-inchikey>HDUPTWMHVYPUQE-UHFFFAOYSA-P</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">674.285283</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM350557</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>1-n,4-n-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]-3-methoxyphenyl]benzene-1,4-dicarboxamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0304943</sync-id>
  <structure-inchikey>HDUPTWMHVYPUQE-UHFFFAOYSA-P</structure-inchikey>
  <structure-fingerprint>8004000000000001000800000000000000000000000008100000000000000400000000002000000008000020000000000000010000000000001000002000000000000000000000000000000000000000020000000000101000000000000020000000000010400000051000000100000000000000000000000000000001000000000000040000000800000000000000080000000000000000000000002000000000000100000000000000000084000800000000000000000000000000000000080000000000000000000000000000000400002004000000000000200000080001000008000000000000040000000000400000000000020200100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������2���6���€���`�������`������`*�������@h�������@h�������@h�������@(������@h��������h��������(�������(������@(������@(������@h�������@(������@h�������@h��������h��������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(�������h�������@(������@h�������@(������@(������@h�������@h��������(�������(�������h�������@(������@h�������`*�������@h�������@h�������@h��������`�������`�������(�������`�������(�������`��������������h���h���h���h���h��� �	 	
(�	� ��h��h��h���h���h��� �� ��(��� ��h���h���h���h���h��� ��(��� �� ��h���h�� h� !h�!"h� # #$(�#% %&amp; &amp;'h�'(h�()h�)*h�*+h�(,�,-��. ./��0 01���h���h���h�"�h�+&amp;h�B��������������������������� !"��'()*+&amp;����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:52:37Z</structure-indexed-at>
</compound>
