Basic information
- Standard SMILES
COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C#N)n1.Cl- InChIKey
PRJPTFHFINBKJB-PKLMIRHRSA-N- Molecular formula
- C18H18ClFN4O3
- Average molar mass
- 392.8 g/mol
- Monoisotopic mass
- 392.1051463
Names & identifiers
- Preferred name
- (S)-2-Cyano-N-(3-fluoro-4-(morpholin-2-yl)phenyl)-6-methoxyisonicotinamide hydrochloride
- IUPAC
- 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;hydrochloride
Names & synonyms
SCHEMBL14151314PRJPTFHFINBKJB-PKLMIRHRSA-N(S)-2-Cyano-N-(3-fluoro-4-(morpholin-2-yl)phenyl)-6-methoxyisonicotinamide hydrochloride
Database identifiers
- PubChem CID
- 71087141
Properties
Computed structural properties
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
Related reactions
2 records
Compound notes
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