Basic information
- Standard SMILES
CCC(CC)(CO)NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1- InChIKey
YTASQZWAQNJOJP-UHFFFAOYSA-N- Molecular formula
- C17H23F3N2O3
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- 5-Cyclopropyl-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (1-ethyl-1-hydroxymethyl-propyl)-amide
- IUPAC
- 5-cyclopropyl-N-[3-(hydroxymethyl)pentan-3-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
Names & synonyms
5-Cyclopropyl-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (1-ethyl-1-hydroxymethyl-propyl)-amideCHEMBL3920942SCHEMBL15790192BDBM240339US9409866, 54
Database identifiers
- PubChem CID
- 90214935
- ChEMBL
CHEMBL3920942
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 451
Related reactions
1 records
Compound notes
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