4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide

C18H22N2O2S — CID 172665741

IUPAC4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCSCCNC(=O)c1c(C)ccn(CCc2ccccc2)c1=O
InChIInChI=1S/C18H22N2O2S/c1-14-8-11-20(12-9-15-6-4-3-5-7-15)18(22)16(14)17(21)19-10-13-23-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,21)
InChIKeyIFJTVTLCRPGYOE-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.49
Rot. Bonds7

About 4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide

4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 172665741) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID172665741
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCSCCNC(=O)c1c(C)ccn(CCc2ccccc2)c1=O
InChIInChI=1S/C18H22N2O2S/c1-14-8-11-20(12-9-15-6-4-3-5-7-15)18(22)16(14)17(21)19-10-13-23-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,21)
InChIKeyIFJTVTLCRPGYOE-UHFFFAOYSA-N
XLogP2.49
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172655551
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672238
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157
N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172661780
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172670938
1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
CID 172658534
N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride
CID 172912279
4-methyl-2-oxo-N-(2-oxooxolan-3-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665459
formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate
CID 172910035
N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672908
4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172671910
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 172669885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide (CID 172665741) is 4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide is CSCCNC(=O)c1c(C)ccn(CCc2ccccc2)c1=O.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is IFJTVTLCRPGYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-8-11-20(12-9-15-6-4-3-5-7-15)18(22)16(14)17(21)19-10-13-23-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172665741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).