Basic information
- Standard SMILES
CN1CCN(c2cccc(-c3ccc(C#N)c(=O)[nH]3)c2)CC1- InChIKey
PBKCJCJXMRTTGY-UHFFFAOYSA-N- Molecular formula
- C17H18N4O
- Average molar mass
- 294.35 g/mol
Names & identifiers
- Preferred name
- 6-[m-(4-Methyl-1-piperazinyl)phenyl]-1,2-dihydro-2-oxonicotinonitrile
- IUPAC
- 6-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
Names & synonyms
SCHEMBL11737507PBKCJCJXMRTTGY-UHFFFAOYSA-N6-[m-(4-Methyl-1-piperazinyl)phenyl]-1,2-dihydro-2-oxonicotinonitrile
Database identifiers
- PubChem CID
- 21404596
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 548
Related reactions
1 records
Compound notes
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