N-(2-aminophenyl)-4-{3-cyano-5-[(4-isopropylpiperazin-1-yl)methyl]pyridin-2-yl}benzamide
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Basic information
- Standard SMILES
CC(C)N1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N)cc3)c(C#N)c2)CC1- InChIKey
RLVHHMUTZQQOFZ-UHFFFAOYSA-N- Molecular formula
- C27H30N6O
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.2481096
Names & identifiers
- Preferred name
- N-(2-aminophenyl)-4-{3-cyano-5-[(4-isopropylpiperazin-1-yl)methyl]pyridin-2-yl}benzamide
- IUPAC
- N-(2-aminophenyl)-4-[3-cyano-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide
Names & synonyms
CHEMBL258177SCHEMBL2077214BDBM25241RLVHHMUTZQQOFZ-UHFFFAOYSA-Naminomethylpyridine-based compound, 15bPD082749N-(2-aminophenyl)-4-{3-cyano-5-[(4-isopropylpiperazin-1-yl)methyl]pyridin-2-yl}benzamideN-(2-aminophenyl)-4-(3-cyano-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
Database identifiers
- PubChem CID
- 11539751
- ChEMBL
CHEMBL258177
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 703
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Related reactions
2 records
Compound notes
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