Basic information
- Standard SMILES
COc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1- InChIKey
NFJIXYHKSCGARF-UHFFFAOYSA-N- Molecular formula
- C25H23F3N4O3
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.17222509
Names & identifiers
- Preferred name
- N-(6-methoxypyridin-3-yl)-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
- IUPAC
- N-(6-methoxy-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
Names & synonyms
N-(6-methoxypyridin-3-yl)-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamideSCHEMBL1011700CHEMBL1651537PD139756
Database identifiers
- PubChem CID
- 24967994
- ChEMBL
CHEMBL1651537
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 725
Related reactions
2 records
Compound notes
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