Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(N)=O- InChIKey
QRPHVTWXSRYQKX-ZDUSSCGKSA-N- Molecular formula
- C17H22F3N3O3
- Average molar mass
- 373.4 g/mol
Names & identifiers
- Preferred name
- 6-Cyclopropylmethoxy-5-trifluoromethyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
- IUPAC
- N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
Names & synonyms
6-Cyclopropylmethoxy-5-trifluoromethyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amideCHEMBL3902797SCHEMBL14226240BDBM210368US9290451, 118
Database identifiers
- PubChem CID
- 71105604
- ChEMBL
CHEMBL3902797
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Related reactions
2 records
Compound notes
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