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3UP

Summary
Name:2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
Formula:C21 H18 N4 O2
Formal charge:0
Formula weight:358.393 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
OpenEye OEToolkits1.7.62-(cyclopropylcarbonylamino)-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nccc(c1)C(=O)Nc3c(c2ccccc2)ccnc3)C4CC4
InChIInChI1.03InChI=1S/C21H18N4O2/c26-20(15-6-7-15)25-19-12-16(8-11-23-19)21(27)24-18-13-22-10-9-17(18)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2,(H,24,27)(H,23,25,26)
InChIKeyInChI1.03LJUDIYPNWBIDNH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1cc(ccn1)C(=O)Nc2cnccc2c3ccccc3)C4CC4
SMILESCACTVS3.385O=C(Nc1cc(ccn1)C(=O)Nc2cnccc2c3ccccc3)C4CC4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4

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PDB entries from 2024-04-24

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