2(1H)-Pyridinone, 3-(3-cyclopropyl-1-(4-pyridinylmethoxy)-1-(trifluoromethyl)-2-propynyl)-
Basic information
- CAS
335665-58-2- Standard SMILES
O=c1[nH]cccc1[C@](C#CC1CC1)(OCc1ccncc1)C(F)(F)F- InChIKey
INJQBPWBVJPBDU-KRWDZBQOSA-N- Molecular formula
- C18H15F3N2O2
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.10856221
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 3-(3-cyclopropyl-1-(4-pyridinylmethoxy)-1-(trifluoromethyl)-2-propynyl)-
- IUPAC
- 3-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-(pyridin-4-ylmethoxy)but-3-yn-2-yl]-1H-pyridin-2-one
Names & synonyms
335665-58-22(1H)-Pyridinone, 3-(3-cyclopropyl-1-(4-pyridinylmethoxy)-1-(trifluoromethyl)-2-propynyl)-3-((1S)-3-Cyclopropyl-1-(4-pyridylmethoxy)-1-(trifluoromethyl)prop-2-ynyl)hydropyridin-2-one2(1H)-Pyridinone, 3-[3-cyclopropyl-1-(4-pyridinylmethoxy)-1-(trifluoromethyl)-2-propynyl]-3-[(1S)-3-Cyclopropyl-1-(4-pyridylmethoxy)-1-(trifluoromethyl)prop-2-ynyl]hydropyridin-2-oneDTXSID501872543-[(1S)-3-cyclopropyl-1-(4-pyridylmethoxy)-1-(trifluoromethyl)prop-2-ynyl]-1H-pyridin-2-one3-{(2S)-4-Cyclopropyl-1,1,1-trifluoro-2-[(pyridin-4-yl)methoxy]but-3-yn-2-yl}pyridin-2(1H)-one
Database identifiers
- CAS
335665-58-2- PubChem CID
- 483797
- DTXSID
DTXSID50187254
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 646
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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