1-[1-(4-Cyano-phenyl)-ethyl]-2-methyl-4-oxo-2'-trifluoromethyl-1,4-dihydro-[3,4']bipyridinyl-5-carboxylic acid

HCID 86711531
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(-c2ccnc(C(F)(F)F)c2)c(=O)c(C(=O)O)cn1C(C)c1ccc(C#N)cc1
InChIKey
GTIRLOGEUAXBAT-UHFFFAOYSA-N
Molecular formula
C22H16F3N3O3
Average molar mass
427.4 g/mol

Names & identifiers

Preferred name
1-[1-(4-Cyano-phenyl)-ethyl]-2-methyl-4-oxo-2'-trifluoromethyl-1,4-dihydro-[3,4']bipyridinyl-5-carboxylic acid
IUPAC
1-[1-(4-cyanophenyl)ethyl]-6-methyl-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxylic acid

Names & synonyms

1-[1-(4-Cyano-phenyl)-ethyl]-2-methyl-4-oxo-2'-trifluoromethyl-1,4-dihydro-[3,4']bipyridinyl-5-carboxylic acidSCHEMBL15487135

Database identifiers

PubChem CID
86711531

Properties

Computed structural properties

XLogP
4
Topological polar surface area
94.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
31

Related reactions

1 records
New reaction record

Compound notes

Loading…