6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid

C10H12N2O5S — CID 113421841

IUPAC6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
SMILESCC(C(=O)Nc1ccc(C(=O)O)cn1)S(C)(=O)=O
InChIInChI=1S/C10H12N2O5S/c1-6(18(2,16)17)9(13)12-8-4-3-7(5-11-8)10(14)15/h3-6H,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyBVKBQNMHRTVNOY-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.15
Rot. Bonds4

About 6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid

6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid (PubChem CID 113421841) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
PubChem CID113421841
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
SMILESCC(C(=O)Nc1ccc(C(=O)O)cn1)S(C)(=O)=O
InChIInChI=1S/C10H12N2O5S/c1-6(18(2,16)17)9(13)12-8-4-3-7(5-11-8)10(14)15/h3-6H,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyBVKBQNMHRTVNOY-UHFFFAOYSA-N
XLogP0.15
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 94025050
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 61318986
6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
CID 55232021
6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 112697409
6-[(2-methylsulfonyloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 87419927
6-(but-2-enoylamino)pyridine-3-carboxylic acid
CID 78969127
6-(propylsulfonylamino)pyridine-3-carboxylic acid
CID 61318389
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617
6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54959157
4-(2-methylsulfonylpropanoylamino)-3-nitrobenzoic acid
CID 104517472

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid (CID 113421841) is 6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid is CC(C(=O)Nc1ccc(C(=O)O)cn1)S(C)(=O)=O.
What is the InChIKey of 6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid?
The InChIKey is BVKBQNMHRTVNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-6(18(2,16)17)9(13)12-8-4-3-7(5-11-8)10(14)15/h3-6H,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid?
6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid has a molecular weight of 272.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 113421841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).