Basic information
- Standard SMILES
Cc1cc(C)c(N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)nc1C- InChIKey
AKYHDDVNZVHTFT-UHFFFAOYSA-N- Molecular formula
- C20H21BrN4O
- Average molar mass
- 413.3 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-2-[4-(3,5,6-trimethylpyridin-2-yl)piperazine-1-carbonyl]benzonitrile
- IUPAC
- 5-bromo-2-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]benzonitrile
Names & synonyms
SCHEMBL14686816AKYHDDVNZVHTFT-UHFFFAOYSA-N5-bromo-2-[4-(3,5,6-trimethylpyridin-2-yl)piperazine-1-carbonyl]benzonitrile
Database identifiers
- PubChem CID
- 71252174
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 553
Related reactions
6 records
Compound notes
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