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A1C3Y

Summary
Name:N~1~,N~1~-dibenzyl-N~2~-(5-carbamoylpyridin-3-yl)ethanediamide
Formula:C22 H20 N4 O3
Formal charge:0
Formula weight:388.419 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N~1~,N~1~-dibenzyl-N~2~-(5-carbamoylpyridin-3-yl)ethanediamide
OpenEye OEToolkits3.1.0.0~{N}-(5-aminocarbonylpyridin-3-yl)-~{N}',~{N}'-bis(phenylmethyl)ethanediamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1cc(cnc1)C(N)=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI1.06InChI=1S/C22H20N4O3/c23-20(27)18-11-19(13-24-12-18)25-21(28)22(29)26(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H2,23,27)(H,25,28)
InChIKeyInChI1.06KCXHPOJTSUHNFS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1cncc(NC(=O)C(=O)N(Cc2ccccc2)Cc3ccccc3)c1
SMILESCACTVS3.385NC(=O)c1cncc(NC(=O)C(=O)N(Cc2ccccc2)Cc3ccccc3)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)CN(Cc2ccccc2)C(=O)C(=O)Nc3cc(cnc3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)CN(Cc2ccccc2)C(=O)C(=O)Nc3cc(cnc3)C(=O)N

254917

PDB entries from 2026-06-10

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