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2WG

Summary
Name:2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide
Formula:C15 H15 N5 O3
Formal charge:0
Formula weight:313.311 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide
OpenEye OEToolkits1.7.62-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-pyrimidine-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nccc(c1)c2nc(OC)c(cn2)C(=O)N)C3CC3
InChIInChI1.03InChI=1S/C15H15N5O3/c1-23-15-10(12(16)21)7-18-13(20-15)9-4-5-17-11(6-9)19-14(22)8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,21)(H,17,19,22)
InChIKeyInChI1.03FGIRBKPXCMZGGV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1nc(ncc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2
SMILESCACTVS3.385COc1nc(ncc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N
SMILESOpenEye OEToolkits1.7.6COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N

223532

PDB entries from 2024-08-07

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