3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid

C11H15N3O4S — CID 113486653

IUPAC3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESCC(CS(C)=O)NC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H15N3O4S/c1-7(6-19(2)18)13-11(17)14-8-4-3-5-12-9(8)10(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyBYDQARWUMLWVJS-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.67
Rot. Bonds5

About 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid

3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 113486653) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID113486653
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESCC(CS(C)=O)NC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H15N3O4S/c1-7(6-19(2)18)13-11(17)14-8-4-3-5-12-9(8)10(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyBYDQARWUMLWVJS-UHFFFAOYSA-N
XLogP0.67
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-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

Related Compounds

3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide
CID 104508689
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447920
3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 106020390
3-(2-methylsulfanylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743655
3-[(4-methylpiperazin-1-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743816
1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99599475
3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid
CID 113447517
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
1-(4-aminophenyl)-3-(1-methylsulfinylpropan-2-yl)urea
CID 113486517

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid (CID 113486653) is 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid is CC(CS(C)=O)NC(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is BYDQARWUMLWVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7(6-19(2)18)13-11(17)14-8-4-3-5-12-9(8)10(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 113486653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).