N-{2-[4-(2-chloro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-6-phenylamino-nicotinamide
Basic information
- Standard SMILES
O=C(NCC(=O)N1CCC(Oc2ccccc2Cl)CC1)c1ccc(Nc2ccccc2)nc1- InChIKey
CVCPMHBFYCTWQH-UHFFFAOYSA-N- Molecular formula
- C25H25ClN4O3
- Average molar mass
- 464.9 g/mol
- Monoisotopic mass
- 464.1615184
Names & identifiers
- Preferred name
- N-{2-[4-(2-chloro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-6-phenylamino-nicotinamide
- IUPAC
- 6-anilino-N-[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL71377CVCPMHBFYCTWQH-UHFFFAOYSA-NN-{2-[4-(2-chloro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-6-phenylamino-nicotinamide
Database identifiers
- PubChem CID
- 44233263
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
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