Basic information
- Standard SMILES
CNC(=O)CC1(NC(=O)c2cc(O[C@@H](C)C(F)(F)F)c(C3CC3)cn2)COC1- InChIKey
ASMGXYRKSILTNL-JTQLQIEISA-N- Molecular formula
- C18H22F3N3O4
- Average molar mass
- 401.4 g/mol
Names & identifiers
- Preferred name
- 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
- IUPAC
- 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
Names & synonyms
5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamideCHEMBL3977194SCHEMBL15790241BDBM240517US9409866, 232
Database identifiers
- PubChem CID
- 90214969
- ChEMBL
CHEMBL3977194
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Related reactions
1 records
Compound notes
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