Basic information
- Standard SMILES
CCOC(=O)CC(Nc1nc(Cl)c(C#N)cc1F)C1(C)CCCC1- InChIKey
GPXYETZMMDQMRC-UHFFFAOYSA-N- Molecular formula
- C17H21ClFN3O2
- Average molar mass
- 353.8 g/mol
Names & identifiers
- Preferred name
- Racemic ethyl 3-[(6-chloro-5-cyano-3-fluoro-2-pyridyl)amino]-3-(1-methylcyclopentyl)propanoate
- IUPAC
- ethyl 3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]-3-(1-methylcyclopentyl)propanoate
Names & synonyms
SCHEMBL14678178GPXYETZMMDQMRC-UHFFFAOYSA-Nracemic ethyl 3-[(6-chloro-5-cyano-3-fluoro-2-pyridyl)amino]-3-(1-methylcyclopentyl)propanoate
Database identifiers
- PubChem CID
- 89402007
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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