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A1CEM

Summary
Name:5-{4-[(morpholin-4-yl)methyl]phenyl}-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
Formula:C18 H18 F3 N3 O3
Formal charge:0
Formula weight:381.349 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.525-{4-[(morpholin-4-yl)methyl]phenyl}-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
OpenEye OEToolkits3.1.0.05-[4-(morpholin-4-ylmethyl)phenyl]-2-oxidanylidene-6-(trifluoromethyl)-1~{H}-pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1=CC(=C(NC1=O)C(F)(F)F)c1ccc(cc1)CN1CCOCC1
InChIInChI1.06InChI=1S/C18H18F3N3O3/c19-18(20,21)15-13(9-14(16(22)25)17(26)23-15)12-3-1-11(2-4-12)10-24-5-7-27-8-6-24/h1-4,9H,5-8,10H2,(H2,22,25)(H,23,26)
InChIKeyInChI1.06GWUOZGGTMJELQQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)C1=CC(=C(NC1=O)C(F)(F)F)c2ccc(CN3CCOCC3)cc2
SMILESCACTVS3.385NC(=O)C1=CC(=C(NC1=O)C(F)(F)F)c2ccc(CN3CCOCC3)cc2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1CN2CCOCC2)C3=C(NC(=O)C(=C3)C(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1CN2CCOCC2)C3=C(NC(=O)C(=C3)C(=O)N)C(F)(F)F

247536

PDB entries from 2026-01-14

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