Basic information
- Standard SMILES
CCCN1CCN(c2ccc(-c3ccc(C#N)c(=O)[nH]3)cc2)CC1- InChIKey
IMDCMRYDXCNDAU-UHFFFAOYSA-N- Molecular formula
- C19H22N4O
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- 6-[p-(4-Propyl-1-piperazinyl)phenyl]-1,2-dihydro-2-oxonicotinonitrile
- IUPAC
- 2-oxo-6-[4-(4-propylpiperazin-1-yl)phenyl]-1H-pyridine-3-carbonitrile
Names & synonyms
SCHEMBL11731682IMDCMRYDXCNDAU-UHFFFAOYSA-N6-[p-(4-propyl-1-piperazinyl)phenyl]-1,2-dihydro-2-oxonicotinonitrile
Database identifiers
- PubChem CID
- 21404489
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
Related reactions
2 records
Compound notes
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