<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">312240</id>
  <title nil="true"/>
  <common-name>Ethyl (e)-2-[(2-methoxyphenyl)carbamoyl]-3-(pyridin-2-ylamino)prop-2-enoate</common-name>
  <description>Ethyl (e)-2-[(2-methoxyphenyl)carbamoyl]-3-(pyridin-2-ylamino)prop-2-enoate is a chemical compound with the formula C18H19N3O4. It has an average molecular weight of 341.40 g/mol.</description>
  <cas>172753-08-1</cas>
  <pubchem-id>3075173</pubchem-id>
  <chemical-formula>C18H19N3O4</chemical-formula>
  <weight>341.4</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">2026-08-29T08:34:29Z</created-at>
  <updated-at type="dateTime">2026-08-29T08:34:29Z</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>CCOC(=O)C(=CNC1=CC=CC=N1)C(=O)NC2=CC=CC=C2OC</moldb-smiles>
  <moldb-formula>C18H19N3O4</moldb-formula>
  <moldb-inchi>InChI=1S/C18H19N3O4/c1-3-25-18(23)13(12-20-16-10-6-7-11-19-16)17(22)21-14-8-4-5-9-15(14)24-2/h4-12H,3H2,1-2H3,(H,19,20)(H,21,22)/b13-12+</moldb-inchi>
  <moldb-inchikey>PJZCVFYBDHEUPV-OUKQBFOZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">341.1375561</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM308133</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>Ethyl (e)-2-[(2-methoxyphenyl)carbamoyl]-3-(pyridin-2-ylamino)prop-2-enoate</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>CED0263180</sync-id>
  <structure-inchikey>PJZCVFYBDHEUPV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80800000000000000010220000000000000000000000400000000002000010000000000000002000000000000000008000000000000020000000100000000000000000000000000020000000004300000008000000000000000000010000000040000000000000000000000000000000000000400000000000000040001000801000000000000090000000000100200080020000000000000000000000000000000000088000002000000000080000000000000000000080000000000800000040000000000000000000008000002000000200020000000000008000000000002040000000000400000000000020000100000000020000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������(�������h��������h�������@(������@h�������@h�������@h�������@h�������@(�������(�������(�������h�������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������������� ��(��� ��(��� �� �	h�	
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�h���h��h��� ��(��� �� ��h���h���h���h���h��� ����h���h�B�����	
��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:19:14Z</structure-indexed-at>
</compound>
