(R)-5-cyano-6-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
Basic information
- Standard SMILES
N#Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnc1N1CC[C@@H](O)C1- InChIKey
MXNYCXXVVBAKIV-CQSZACIVSA-N- Molecular formula
- C18H15F3N4O3
- Average molar mass
- 392.3 g/mol
Names & identifiers
- Preferred name
- (R)-5-cyano-6-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 5-cyano-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
(R)-5-cyano-6-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15391970
Database identifiers
- PubChem CID
- 89907102
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 601
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Related reactions
2 records
Compound notes
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