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Summary Geometry Related PDB entries

A1BG0

Summary

Name:	(2P)-2-(2-methoxypyridin-4-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide
Formula:	C17 H16 N4 O2
Formal charge:	0
Formula weight:	308.335 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(2P)-2-(2-methoxypyridin-4-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide
OpenEye OEToolkits	3.1.0.0	2-(2-methoxypyridin-4-yl)-~{N}-(1-methylpyrazol-4-yl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(Nc1cn(C)nc1)c1ccccc1c1ccnc(OC)c1
InChI	InChI	1.06	InChI=1S/C17H16N4O2/c1-21-11-13(10-19-21)20-17(22)15-6-4-3-5-14(15)12-7-8-18-16(9-12)23-2/h3-11H,1-2H3,(H,20,22)
InChIKey	InChI	1.06	AACDVFMAAOMMMJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(ccn1)c2ccccc2C(=O)Nc3cnn(C)c3
SMILES	CACTVS	3.385	COc1cc(ccn1)c2ccccc2C(=O)Nc3cnn(C)c3
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cn1cc(cn1)NC(=O)c2ccccc2c3ccnc(c3)OC
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1cc(cn1)NC(=O)c2ccccc2c3ccnc(c3)OC

255900

PDB entries from 2026-07-01

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