3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one

C23H35N3OS — CID 134920731

IUPAC3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one
SMILESCCSc1c(N(CC)CC)c(N(CC)CC)c(Cc2ccccc2)c(=O)n1C
InChIInChI=1S/C23H35N3OS/c1-7-25(8-2)20-19(17-18-15-13-12-14-16-18)22(27)24(6)23(28-11-5)21(20)26(9-3)10-4/h12-16H,7-11,17H2,1-6H3
InChIKeyBVGAKQLOMILTRE-UHFFFAOYSA-N
MW401.62 g/mol
LogP4.78
Rot. Bonds10

About 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one

3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one (PubChem CID 134920731) has the molecular formula C23H35N3OS and a molecular weight of 401.62 g/mol. Its IUPAC name is 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one
PubChem CID134920731
Molecular FormulaC23H35N3OS
Molecular Weight401.62 g/mol
Exact Mass401.25
IUPAC Name3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one
SMILESCCSc1c(N(CC)CC)c(N(CC)CC)c(Cc2ccccc2)c(=O)n1C
InChIInChI=1S/C23H35N3OS/c1-7-25(8-2)20-19(17-18-15-13-12-14-16-18)22(27)24(6)23(28-11-5)21(20)26(9-3)10-4/h12-16H,7-11,17H2,1-6H3
InChIKeyBVGAKQLOMILTRE-UHFFFAOYSA-N
XLogP4.78
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one
CID 134920997
5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
CID 134118669
methyl 2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetate
CID 7413329
5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one
CID 154085346
N-benzyl-2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 4266584
5-benzyl-3,6-dimethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one
CID 7419428
5-benzyl-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 3954521
4-benzyl-5-ethylsulfanyldithiole-3-thione
CID 10891400
3-benzyl-2-ethylsulfanyl-1H-indole
CID 11414484
2-[5-benzyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N,N-diethylacetamide
CID 135427411
2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-propylpentanamide
CID 42738677
5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde
CID 101460283

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one?
The IUPAC name of 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one (CID 134920731) is 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one.
What is the SMILES notation for 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one?
The canonical SMILES for 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one is CCSc1c(N(CC)CC)c(N(CC)CC)c(Cc2ccccc2)c(=O)n1C.
What is the InChIKey of 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one?
The InChIKey is BVGAKQLOMILTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3OS/c1-7-25(8-2)20-19(17-18-15-13-12-14-16-18)22(27)24(6)23(28-11-5)21(20)26(9-3)10-4/h12-16H,7-11,17H2,1-6H3.
What are the key properties of 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one?
3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one has a molecular weight of 401.62 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one is sourced from PubChem (CID 134920731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).