5-(4-Chloro-phenyl)-6-cyclopropylethynyl-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
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Basic information
- Standard SMILES
O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(C#CC2CC2)c(-c2ccc(Cl)cc2)c1- InChIKey
BKWCDEGQCQHIAV-FGZHOGPDSA-N- Molecular formula
- C23H23ClN2O2
- Average molar mass
- 394.9 g/mol
Names & identifiers
- Preferred name
- 5-(4-Chloro-phenyl)-6-cyclopropylethynyl-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
- IUPAC
- 5-(4-chlorophenyl)-6-(2-cyclopropylethynyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL2703225BKWCDEGQCQHIAV-FGZHOGPDSA-N5-(4-Chloro-phenyl)-6-cyclopropylethynyl-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
Database identifiers
- PubChem CID
- 67505016
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 615
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Related reactions
2 records
Compound notes
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