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93C

Summary
Name:N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide
Formula:C20 H17 N5 O2
Formal charge:0
Formula weight:359.381 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide
OpenEye OEToolkits2.0.6~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-pyridin-2-yl-pyrimidine-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccnc(c1)c4ncc(C(=O)Nc3ccc(N2C(=O)CCC2)cc3)cn4
InChIInChI1.03InChI=1S/C20H17N5O2/c26-18-5-3-11-25(18)16-8-6-15(7-9-16)24-20(27)14-12-22-19(23-13-14)17-4-1-2-10-21-17/h1-2,4,6-10,12-13H,3,5,11H2,(H,24,27)
InChIKeyInChI1.03MYYXEGDPWAHVAZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1CCCN1c2ccc(NC(=O)c3cnc(nc3)c4ccccn4)cc2
SMILESCACTVS3.385O=C1CCCN1c2ccc(NC(=O)c3cnc(nc3)c4ccccn4)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O
SMILESOpenEye OEToolkits2.0.6c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O

217705

PDB entries from 2024-03-27

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