2-{3-[4-(4-bromo-2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylnicotinamide
Basic information
- Standard SMILES
COc1cc(Br)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1- InChIKey
UBRYFYMMCZWOLV-UHFFFAOYSA-N- Molecular formula
- C22H30BrN5O2
- Average molar mass
- 476.4 g/mol
Names & identifiers
- Preferred name
- 2-{3-[4-(4-bromo-2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylnicotinamide
- IUPAC
- 2-[3-[4-(4-bromo-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
Names & synonyms
SCHEMBL9027526UBRYFYMMCZWOLV-UHFFFAOYSA-N2-{3-[4-(4-bromo-2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylnicotinamide
Database identifiers
- PubChem CID
- 21473483
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 530
Related reactions
3 records
Compound notes
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