Basic information
- Standard SMILES
CSc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCNCC2)c1- InChIKey
ACBFUJQEZQCOGB-UHFFFAOYSA-N- Molecular formula
- C24H24ClN5O3S
- Average molar mass
- 498 g/mol
Names & identifiers
- Preferred name
- N-(5-Chloropyridin-2-yl)-3-[4-(methylthio)-2-(piperidin-4-yloxy)benzoylamino]pyridine-2-carboxamide
- IUPAC
- N-(5-chloro-2-pyridinyl)-3-[(4-methylsulfanyl-2-piperidin-4-yloxybenzoyl)amino]pyridine-2-carboxamide
Names & synonyms
SCHEMBL4277506ACBFUJQEZQCOGB-UHFFFAOYSA-NN-(5-Chloropyridin-2-yl)-3-[4-(methylthio)-2-(piperidin-4-yloxy)benzoylamino]pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 11620252
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 683
Related reactions
2 records
Compound notes
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