Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(N)=O- InChIKey
RPNDWSSILQGAHV-LBPRGKRZSA-N- Molecular formula
- C17H22F3N3O3
- Average molar mass
- 373.4 g/mol
Names & identifiers
- Preferred name
- 5-Cyclopropyl-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
- IUPAC
- N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
Names & synonyms
5-Cyclopropyl-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amideCHEMBL3927530SCHEMBL15790199BDBM240337US9409866, 52
Database identifiers
- PubChem CID
- 76282966
- ChEMBL
CHEMBL3927530
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
1 records
Compound notes
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