2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid

C13H18N2O4S — CID 43353449

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-7-6-8(2)14-11(16)10(7)12(17)15-9(13(18)19)4-5-20-3/h6,9H,4-5H2,1-3H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyWVBZWRZUNXZNEU-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.93
Rot. Bonds6

About 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid (PubChem CID 43353449) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
PubChem CID43353449
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-7-6-8(2)14-11(16)10(7)12(17)15-9(13(18)19)4-5-20-3/h6,9H,4-5H2,1-3H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyWVBZWRZUNXZNEU-UHFFFAOYSA-N
XLogP0.93
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[1-butyl-5-(iodomethyl)-6-methyl-2-oxopyridine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 68167517
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 69475379
2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid
CID 70418783
Methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylsulfanylbutanoate
CID 140109031
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 141307777
2-[(4-Methylcyclohexa-1,5-diene-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 144938311
2-acetamido-3-[2-[6-(2-carboxyethyl)-1,2-dimethyl-2H-pyridin-4-yl]ethylsulfanyl]propanoic acid
CID 166984403
2-[[2-(3-Acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 174666959
(2S)-4-methylsulfanyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoate
CID 1757730
(2S)-4-methylsulfanyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
CID 1757731
(2R)-4-methylsulfanyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoate
CID 1757733
(2R)-4-methylsulfanyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
CID 1757734

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid (CID 43353449) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid is CSCCC(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The InChIKey is WVBZWRZUNXZNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-7-6-8(2)14-11(16)10(7)12(17)15-9(13(18)19)4-5-20-3/h6,9H,4-5H2,1-3H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid has a molecular weight of 298.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 43353449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).