Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

J8Y

Summary
Name:2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
Formula:C14 H9 F3 N6 O2
Formal charge:0
Formula weight:350.255 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
OpenEye OEToolkits2.0.62-oxidanylidene-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1~{H}-pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccc(cc1c2nnnn2)NC(C=3C(=O)NC(=CC=3)C(F)(F)F)=O
InChIInChI1.03InChI=1S/C14H9F3N6O2/c15-14(16,17)10-5-4-9(13(25)19-10)12(24)18-8-3-1-2-7(6-8)11-20-22-23-21-11/h1-6H,(H,18,24)(H,19,25)(H,20,21,22,23)
InChIKeyInChI1.03IAVMZDPIQIVLOG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)C1=CC=C(C(=O)Nc2cccc(c2)c3[nH]nnn3)C(=O)N1
SMILESCACTVS3.385FC(F)(F)C1=CC=C(C(=O)Nc2cccc(c2)c3[nH]nnn3)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c3[nH]nnn3
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c3[nH]nnn3

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon