Basic information
- Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)CNc1ncc(Cl)cc1C(=O)O.Cl- InChIKey
JCDDIYSWVUVRQI-LMRHVHIWSA-N- Molecular formula
- C21H25Cl2FN4O3
- Average molar mass
- 471.3 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2r,5s)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethylamino}-nicotinic acid hydrochloride salt
- IUPAC
- 5-chloro-2-[[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]amino]pyridine-3-carboxylic acid;hydrochloride
Names & synonyms
SCHEMBL6077407JCDDIYSWVUVRQI-LMRHVHIWSA-N5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2r,5s)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethylamino}-nicotinic acid hydrochloride salt
Database identifiers
- PubChem CID
- 69655765
Properties
Computed structural properties
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 605
Related reactions
1 records
Compound notes
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