1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid

C13H20N2O5S — CID 63858503

IUPAC1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)n(CC(C)(C)NS(C)(=O)=O)c(C)c1C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-8-6-10(16)15(9(2)11(8)12(17)18)7-13(3,4)14-21(5,19)20/h6,14H,7H2,1-5H3,(H,17,18)
InChIKeyMKINTULRAYBJIM-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.49
Rot. Bonds5

About 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid

1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid (PubChem CID 63858503) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
PubChem CID63858503
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)n(CC(C)(C)NS(C)(=O)=O)c(C)c1C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-8-6-10(16)15(9(2)11(8)12(17)18)7-13(3,4)14-21(5,19)20/h6,14H,7H2,1-5H3,(H,17,18)
InChIKeyMKINTULRAYBJIM-UHFFFAOYSA-N
XLogP0.49
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid (CID 63858503) is 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid is Cc1cc(=O)n(CC(C)(C)NS(C)(=O)=O)c(C)c1C(=O)O.
What is the InChIKey of 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is MKINTULRAYBJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-8-6-10(16)15(9(2)11(8)12(17)18)7-13(3,4)14-21(5,19)20/h6,14H,7H2,1-5H3,(H,17,18).
What are the key properties of 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 63858503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).