Basic information
- CAS
328027-25-4- Standard SMILES
CC(=Nn1c(C)cc(C)c(C#N)c1=O)c1ccc2ccccc2c1- InChIKey
CHKWIQJNPGAJLF-UHFFFAOYSA-N- Molecular formula
- C20H17N3O
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.13716217
Names & identifiers
- Preferred name
- 4,6-Dimethyl-1-(1-naphthalen-2-ylethylideneamino)-2-oxopyridine-3-carbonitrile
- IUPAC
- 4,6-dimethyl-1-(1-naphthalen-2-ylethylideneamino)-2-oxopyridine-3-carbonitrile
- English name
- 4,6-dimethyl-1-{[1-(2-naphthyl)ethylidene]amino}-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
- Molecular formula
- C20H17N3O
- Molecular weight
- 315.37
Names & synonyms
Oprea1_420343Oprea1_6796284,6-dimethyl-1-{[1-(naphthalen-2-yl)ethylidene]amino}-2-oxo-1,2-dihydropyridine-3-carbonitrile4,6-dimethyl-1-{[1-(2-naphthyl)ethylidene]amino}-2-oxo-1,2-dihydro-3-pyridinecarbonitrile3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-1-[[1-(2-naphthalenyl)ethylidene]amino]-2-oxo-
Database identifiers
- CAS
328027-25-4- PubChem CID
- 681373
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 676
Physicochemical properties
- Boiling point
- 481.7 · 481.7±48.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 0.06 · 0.06±0.70(Predicted)
Chemistry & industry
Suppliers2 total
ARONIS[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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