Basic information
- Standard SMILES
N#Cc1ccc(-c2cc(C(=O)NN3CCC(O)CC3)cnc2OCC(F)(F)F)cc1- InChIKey
RQHVKGJMPBAXHH-UHFFFAOYSA-N- Molecular formula
- C20H19F3N4O3
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.14092497
Names & identifiers
- Preferred name
- 5-(4-Cyano-phenyl)-N-(4-hydroxy-piperidin-1-yl)-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
- IUPAC
- 5-(4-cyanophenyl)-N-(4-hydroxypiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
Names & synonyms
5-(4-Cyano-phenyl)-N-(4-hydroxy-piperidin-1-yl)-6-(2,2,2-trifluoro-ethoxy)-nicotinamideSCHEMBL14761485
Database identifiers
- PubChem CID
- 71293983
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 623
Related reactions
1 records
Compound notes
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