5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid

C9H13N3O4S — CID 114806806

IUPAC5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H13N3O4S/c1-6(2)11-17(15,16)12-7-3-4-8(9(13)14)10-5-7/h3-6,11-12H,1-2H3,(H,13,14)
InChIKeyPPWFDIYXOSIVTF-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.43
Rot. Bonds5

About 5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid

5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid (PubChem CID 114806806) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid
PubChem CID114806806
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H13N3O4S/c1-6(2)11-17(15,16)12-7-3-4-8(9(13)14)10-5-7/h3-6,11-12H,1-2H3,(H,13,14)
InChIKeyPPWFDIYXOSIVTF-UHFFFAOYSA-N
XLogP0.43
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(sulfamoylamino)pyridine-2-carboxylic acid
CID 114958996
5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid
CID 82840031
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638813
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 83186758
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638991
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965
5-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 104638966

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid (CID 114806806) is 5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid is CC(C)NS(=O)(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid?
The InChIKey is PPWFDIYXOSIVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-6(2)11-17(15,16)12-7-3-4-8(9(13)14)10-5-7/h3-6,11-12H,1-2H3,(H,13,14).
What are the key properties of 5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid?
5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114806806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).