Basic information
- Standard SMILES
CN1CCCN(C2CCN(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cn3)CC2)CC1- InChIKey
GWRIYSHVRFUGRL-UHFFFAOYSA-N- Molecular formula
- C24H31ClN6O2
- Average molar mass
- 471 g/mol
Names & identifiers
- Preferred name
- 2-[4-(4-Methylhexahydro-1,4-diazepin-1-yl)piperidin-1-ylcarbonyl]amino-N-(5-chloropyridin-2-yl)benzamide
- IUPAC
- N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)piperidine-1-carboxamide
Names & synonyms
SCHEMBL5389743GWRIYSHVRFUGRL-UHFFFAOYSA-N2-[4-(4-Methylhexahydro-1,4-diazepin-1-yl)-piperidin-1-ylcarbonyl]amino-N-(5-chloropyridin-2-yl)-benzamide2-[4-(4-Methylhexahydro-1,4-diazepin-1-yl)piperidin-1-ylcarbonyl]amino-N-(5-chloropyridin-2-yl)benzamide
Database identifiers
- PubChem CID
- 21075306
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 659
Related reactions
2 records
Compound notes
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