(S)-6-(((3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)-methyl)carbamoyl)nicotinic Acid

HCID 71144036
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)c2ncccc2F)nc1
InChIKey
WFBSFIDRLBBQMO-INIZCTEOSA-N
Molecular formula
C20H13F4N3O3
Average molar mass
419.3 g/mol
Monoisotopic mass
419.08930393

Names & identifiers

Preferred name
(S)-6-(((3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)-methyl)carbamoyl)nicotinic Acid
IUPAC
6-[[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]pyridine-3-carboxylic acid

Names & synonyms

(S)-6-(((3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)-methyl)carbamoyl)nicotinic AcidSCHEMBL14332839(S)-6-(((3-fluoropyridin-2-yl)-(4-(trifluoromethyl)phenyl)methyl)carbamoyl)nicotinic acid

Database identifiers

PubChem CID
71144036

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
92.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
30

Related reactions

4 records
New reaction record

Linked notes

Loading…

(S)-6-(((3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)-methyl)carbamoyl)nicotinic Acid (HCID 71144036)｜Huagongshe