Basic information
- CAS
54756-39-7- Standard SMILES
CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccnc1- InChIKey
QWDAAEPBCRMUEW-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.13682782
Names & identifiers
- Preferred name
- AF-499/00049040
- IUPAC
- 1-(5-acetyl-2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl)ethanone
Names & synonyms
54756-39-7DTXSID80356739AF-499/00049040RefChem:317339DTXCID503077983,5-diacetyl-2,6-dimethyl-4-(3-pyridyl)-1,4-dihydropyridineEthanone, 1,1'-(1',4'-dihydro-2',6'-dimethyl[3,4'-bipyridine]-3',5'-diyl)bis-1-(5-acetyl-2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl)ethanoneAKOS000732449ST50976782SR-01000317970SR-01000317970-1
Show more names
1-(5-acetyl-2,6-dimethyl-1,4-dihydro-3',4-bipyridin-3-yl)ethanone1,1'-(2',6'-Dimethyl-1',4'-dihydro[3,4'-bipyridine]-3',5'-diyl)di(ethan-1-one)
Database identifiers
- CAS
54756-39-7- PubChem CID
- 830798
- DTXSID
DTXSID80356739- Nikkaji
- J2.106.391F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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