5-bromo-6-((3S,4S)-3,4-dihydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide

HCID 89907900

Basic information

Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2C[C@H](O)[C@@H](O)C2)c(Br)c1
InChIKey
DRWSDFJLQDREMX-KBPBESRZSA-N
Molecular formula
C17H15BrF3N3O4
Average molar mass
462.2 g/mol

Names & identifiers

Preferred name
5-bromo-6-((3S,4S)-3,4-dihydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
IUPAC
5-bromo-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

Names & synonyms

5-bromo-6-((3S,4S)-3,4-dihydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL153929835-Bromo-6-((3 S,4S)-3,4-dihydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide

Database identifiers

PubChem CID
89907900

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
94.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
28

Related reactions

4 records

Compound notes

Loading…