A1BGO

N-(3-methylpyridin-4-yl)-5-propanamidopyridine-3-carboxamide

Created:	2024-11-11
Last modified:	2025-02-26

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1 entries where A1BGO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

2D diagram of A1BGO

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Chemical Component Summary
Name	N-(3-methylpyridin-4-yl)-5-propanamidopyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(3-methylpyridin-4-yl)-5-(propanoylamino)pyridine-3-carboxamide
Formula	C₁₅ H₁₆ N₄ O₂
Molecular Weight	284.313
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(Nc1cc(cnc1)C(=O)Nc1ccncc1C)CC
SMILES	CACTVS	3.385	CCC(=O)Nc1cncc(c1)C(=O)Nc2ccncc2C
SMILES	OpenEye OEToolkits	3.1.0.0	CCC(=O)Nc1cc(cnc1)C(=O)Nc2ccncc2C
Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1cncc(c1)C(=O)Nc2ccncc2C
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CCC(=O)Nc1cc(cnc1)C(=O)Nc2ccncc2C
InChI	InChI	1.06	InChI=1S/C15H16N4O2/c1-3-14(20)18-12-6-11(8-17-9-12)15(21)19-13-4-5-16-7-10(13)2/h4-9H,3H2,1-2H3,(H,18,20)(H,16,19,21)
InChIKey	InChI	1.06	ZVXOEORUBXTFDQ-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.