2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-(methylthio)phenyl)methyl)amino)-
Basic information
- CAS
145901-85-5- Standard SMILES
CCc1cc(NCc2ccccc2SC)c(=O)[nH]c1C- InChIKey
FDIPSNCWQUDLSR-UHFFFAOYSA-N- Molecular formula
- C16H20N2OS
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.12963444
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-(methylthio)phenyl)methyl)amino)-
- IUPAC
- 5-ethyl-6-methyl-3-[(2-methylsulfanylphenyl)methylamino]-1H-pyridin-2-one
Names & synonyms
145901-85-52(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-(methylthio)phenyl)methyl)amino)-3-(((2-Methylthio)benzyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one2-pyridinone deriv. 343-[[(2-Methylthio)benzyl]amino]-5-ethyl-6-methylpyridin-2(1H)-one2(1H)-Pyridinone, 5-ethyl-6-methyl-3-[[[2-(methylthio)phenyl]methyl]amino]-CHEMBL87284BDBM3128DTXSID409327155-ethyl-6-methyl-3-[(2-methylsulfanylphenyl)methylamino]-1H-pyridin-2-one5-ethyl-6-methyl-3-({[2-(methylsulfanyl)phenyl]methyl}amino)-1,2-dihydropyridin-2-one5-Ethyl-6-methyl-3-({[2-(methylsulfanyl)phenyl]methyl}amino)pyridin-2-ol
Database identifiers
- CAS
145901-85-5- PubChem CID
- 454355
- DTXSID
DTXSID40932715- ChEMBL
CHEMBL87284- Nikkaji
- J528.129F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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