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KRX

Summary
Name:6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
Formula:C20 H22 F3 N3 O2
Formal charge:0
Formula weight:393.403 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
OpenEye OEToolkits1.7.66-(3-methoxyphenyl)-N-[1-[2,2,2-tris(fluoranyl)ethyl]piperidin-4-yl]pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)CN3CCC(NC(=O)c1ccc(nc1)c2cccc(OC)c2)CC3
InChIInChI1.03InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27)
InChIKeyInChI1.03KJXMFUFGGQJXRP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
SMILESCACTVS3.385COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
SMILESOpenEye OEToolkits1.7.6COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F

218853

PDB entries from 2024-04-24

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