6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid

C11H14N2O4S — CID 113486690

IUPAC6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(CS(C)=O)NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H14N2O4S/c1-7(6-18(2)17)12-10(14)8-4-3-5-9(13-8)11(15)16/h3-5,7H,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyCOGZLDZSZXHQPZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.28
Rot. Bonds5

About 6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid

6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113486690) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113486690
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(CS(C)=O)NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H14N2O4S/c1-7(6-18(2)17)12-10(14)8-4-3-5-9(13-8)11(15)16/h3-5,7H,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyCOGZLDZSZXHQPZ-UHFFFAOYSA-N
XLogP0.28
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
6-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 115730289
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
6-N-butan-2-yl-2-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093809
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
6-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094588
6-N-butan-2-yl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109094666
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
N-butan-2-yl-6-methoxypyridine-2-carboxamide
CID 110848498
6-N-butan-2-yl-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094593
CID 91986542
CID 91986542
1-tert-butyl-5-methyl-N-(1-methylsulfinylpropan-2-yl)pyrazole-3-carboxamide
CID 75454846

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid (CID 113486690) is 6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid is CC(CS(C)=O)NC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is COGZLDZSZXHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-7(6-18(2)17)12-10(14)8-4-3-5-9(13-8)11(15)16/h3-5,7H,6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113486690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).