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Summary Geometry Related PDB entries

A1BGZ

Summary

Name:	(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide
Formula:	C18 H18 N4 O2
Formal charge:	0
Formula weight:	322.361 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide
OpenEye OEToolkits	3.1.0.0	2-[2-(methoxymethyl)pyridin-4-yl]-~{N}-(1-methylpyrazol-4-yl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(Nc1cn(C)nc1)c1ccccc1c1ccnc(COC)c1
InChI	InChI	1.06	InChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)21-18(23)17-6-4-3-5-16(17)13-7-8-19-14(9-13)12-24-2/h3-11H,12H2,1-2H3,(H,21,23)
InChIKey	InChI	1.06	QLEJHKGASBJBRV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COCc1cc(ccn1)c2ccccc2C(=O)Nc3cnn(C)c3
SMILES	CACTVS	3.385	COCc1cc(ccn1)c2ccccc2C(=O)Nc3cnn(C)c3
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cn1cc(cn1)NC(=O)c2ccccc2c3ccnc(c3)COC
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1cc(cn1)NC(=O)c2ccccc2c3ccnc(c3)COC

248335

PDB entries from 2026-01-28

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