Basic information
- Standard SMILES
CCN1CCN(c2ccc(-c3ccc(C#N)c(=O)[nH]3)cc2)CC1- InChIKey
ZIVNXHRGYFKVKJ-UHFFFAOYSA-N- Molecular formula
- C18H20N4O
- Average molar mass
- 308.4 g/mol
Names & identifiers
- Preferred name
- 6-[p-(4-Ethyl-1-piperazinyl)phenyl]-1,2-dihydro-2-oxonicotinonitrile
- IUPAC
- 6-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
Names & synonyms
SCHEMBL11739116ZIVNXHRGYFKVKJ-UHFFFAOYSA-N6-[p-(4-ethyl-1-piperazinyl)phenyl]-1,2-dihydro-2-oxonicotinonitrile
Database identifiers
- PubChem CID
- 21404518
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 555
Related reactions
4 records
Compound notes
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