Basic information
- Standard SMILES
O=C(Nc1cnc(OCC(F)(F)F)c(C2CCCC2)c1)c1ccccn1- InChIKey
YBJUFPLBNLFYSU-UHFFFAOYSA-N- Molecular formula
- C18H18F3N3O2
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 365.13511131
Names & identifiers
- Preferred name
- Pyridine-2-carboxylic acid [5-cyclopentyl-6-(2,2,2-trifluoro-ethoxy)-pyridin-3-yl]-amide
- IUPAC
- N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
Names & synonyms
pyridine-2-carboxylic acid [5-cyclopentyl-6-(2,2,2-trifluoro-ethoxy)-pyridin-3-yl]-amideSCHEMBL14773836
Database identifiers
- PubChem CID
- 71509734
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
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