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CHEBI:104202 - 4-[[1-oxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid methyl ester

ChEBI IDCHEBI:104202
ChEBI Name4-[[1-oxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid methyl ester
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DownloadsMolfile
FormulaC16H17N3O3
Net Charge0
Average Mass299.330
Monoisotopic Mass299.12699
SMILESCOC(=O)c1ccc(NC(=O)CNCc2ccncc2)cc1
InChIInChI=1S/C16H17N3O3/c1-22-16(21)13-2-4-14(5-3-13)19-15(20)11-18-10-12-6-8-17-9-7-12/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyILEOUAHJEOKIKW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[1-oxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid methyl ester (CHEBI:104202) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-15566LINCS