2(1H)-Pyridinone, 5-ethyl-3-(2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl)-6-methyl-
Basic information
- CAS
139548-01-9- Standard SMILES
CCc1cc(CCc2cc(CC)c(C)[nH]c2=O)c(OC)nc1C- InChIKey
AFXWBBROMDHMPD-UHFFFAOYSA-N- Molecular formula
- C19H26N2O2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.19942808
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 5-ethyl-3-(2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl)-6-methyl-
- IUPAC
- 5-ethyl-3-[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-6-methyl-1H-pyridin-2-one
Names & synonyms
139548-01-92(1H)-Pyridinone, 5-ethyl-3-(2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl)-6-methyl-3-(2-(5-Ethyl-2-methoxy-6-methyl-3-pyridyl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one2(1H)-Pyridinone, 5-ethyl-3-[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-6-methyl-3-[2-(5-Ethyl-2-methoxy-6-methyl-3-pyridyl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-oneCHEMBL82856SCHEMBL9846206DTXSID001610845-ethyl-3-[2-(5-ethyl-2-methoxy-6-methyl-3-pyridyl)ethyl]-6-methyl-1H-pyridin-2-one5-Ethyl-3-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)ethyl]-6-methylpyridin-2(1H)-one
Database identifiers
- CAS
139548-01-9- PubChem CID
- 454342
- DTXSID
DTXSID00161084- ChEMBL
CHEMBL82856
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
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Compound notes
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