2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid

C10H15N3O4S — CID 55245219

IUPAC2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)N(C)S(=O)(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-7(2)13(3)18(16,17)12-9-8(10(14)15)5-4-6-11-9/h4-7H,1-3H3,(H,11,12)(H,14,15)
InChIKeyNRSGWWAGQDEWNF-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.78
Rot. Bonds5

About 2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid

2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 55245219) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid
PubChem CID55245219
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)N(C)S(=O)(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-7(2)13(3)18(16,17)12-9-8(10(14)15)5-4-6-11-9/h4-7H,1-3H3,(H,11,12)(H,14,15)
InChIKeyNRSGWWAGQDEWNF-UHFFFAOYSA-N
XLogP0.78
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455802
2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
CID 63654439
2-(piperidin-1-ylsulfonylamino)pyridine-3-carboxylic acid
CID 63654456
2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654101
2-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738922
2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654276
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652537
2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63653933
2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654103
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
N-methyl-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 62166706
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid (CID 55245219) is 2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid is CC(C)N(C)S(=O)(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is NRSGWWAGQDEWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7(2)13(3)18(16,17)12-9-8(10(14)15)5-4-6-11-9/h4-7H,1-3H3,(H,11,12)(H,14,15).
What are the key properties of 2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid?
2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55245219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).