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Basic information
- Standard SMILES
Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)nc3)cc(N(C)C3CCNCC3)c2C)c(=O)[nH]1- InChIKey
CNMYBGGPQLMJRW-UHFFFAOYSA-N- Molecular formula
- C30H40N6O2
- Average molar mass
- 516.7 g/mol
Names & identifiers
- Preferred name
- N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(6-((dimethylamino)methyl)pyridin-3-yl)-2-methyl-3-(methyl(piperidin-4-yl)amino)benzamide
- IUPAC
- 5-[6-[(dimethylamino)methyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]benzamide
Names & synonyms
CHEMBL3697433SCHEMBL13446334SCHEMBL18822050CNMYBGGPQLMJRW-UHFFFAOYSA-NN-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(6-((dimethylamino)methyl)pyridin-3-yl)-2-methyl-3-(methyl(piperidin-4-yl)amino)benzamide
Database identifiers
- PubChem CID
- 70904670
- ChEMBL
CHEMBL3697433
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 908
Related reactions
2 records
Compound notes
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