<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">293448</id>
  <title nil="true"/>
  <common-name>2-[2-(dimethylamino)ethyl]-2-pyridin-2-ylpent-4-enamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3054963</pubchem-id>
  <chemical-formula>C14H21N3O</chemical-formula>
  <weight>247.34</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">2026-08-28T08:48:56Z</created-at>
  <updated-at type="dateTime">2026-08-28T08:48:56Z</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>CN(C)CCC(CC=C)(C1=CC=CC=N1)C(=O)N</moldb-smiles>
  <moldb-formula>C14H21N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H21N3O/c1-4-8-14(13(15)18,9-11-17(2)3)12-7-5-6-10-16-12/h4-7,10H,1,8-9,11H2,2-3H3,(H2,15,18)</moldb-inchi>
  <moldb-inchikey>QVQOOWUMTLACSI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">247.1684623</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.1</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>CHEM289341</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>2-[2-(dimethylamino)ethyl]-2-pyridin-2-ylpent-4-enamide</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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0244958</sync-id>
  <structure-inchikey>QVQOOWUMTLACSI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000002000000800000000000000000000000000000002100000000003000000000000002000000000000040008000000000000000000000000000000100010000000000000028000000000600000000000000000000000000010000000000000000004000000000000008000000000000040000000000000040000080800002000000020010101000000120000000000000000000000000080000000000000200080020000000000000080000000000000000000000000000000000000000000000040000000000000000000000000200000000000000000000000000002040000000000400000001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`������� ������`�������h��������h�������@(������@h�������@h�������@h�������@h�������@(�������(�������(�������h���������������������������������	�	
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����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:05:22Z</structure-indexed-at>
</compound>
