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PRC

Summary
Name:N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE
Formula:C22 H18 N6 O
Formal charge:0
Formula weight:382.418 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}pyridine-3-carboxamide
OpenEye OEToolkits1.5.0N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1cccnc1)Nc2cc(c(cc2)C)Nc3nc(ccn3)c4cccnc4
SMILES_CANONICALCACTVS3.341Cc1ccc(NC(=O)c2cccnc2)cc1Nc3nccc(n3)c4cccnc4
SMILESCACTVS3.341Cc1ccc(NC(=O)c2cccnc2)cc1Nc3nccc(n3)c4cccnc4
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4
InChIInChI1.03InChI=1S/C22H18N6O/c1-15-6-7-18(26-21(29)17-5-3-10-24-14-17)12-20(15)28-22-25-11-8-19(27-22)16-4-2-9-23-13-16/h2-14H,1H3,(H,26,29)(H,25,27,28)
InChIKeyInChI1.03YWQVBESSYLICRX-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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