2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid

C10H10N4O4S — CID 63654101

IUPAC2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCn1cnc(S(=O)(=O)Nc2ncccc2C(=O)O)c1
InChIInChI=1S/C10H10N4O4S/c1-14-5-8(12-6-14)19(17,18)13-9-7(10(15)16)3-2-4-11-9/h2-6H,1H3,(H,11,13)(H,15,16)
InChIKeyQDBOKOGSMNMEBO-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.31
Rot. Bonds4

About 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid

2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 63654101) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID63654101
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Name2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCn1cnc(S(=O)(=O)Nc2ncccc2C(=O)O)c1
InChIInChI=1S/C10H10N4O4S/c1-14-5-8(12-6-14)19(17,18)13-9-7(10(15)16)3-2-4-11-9/h2-6H,1H3,(H,11,13)(H,15,16)
InChIKeyQDBOKOGSMNMEBO-UHFFFAOYSA-N
XLogP0.31
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-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

2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654103
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62375790
6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 55249907
3,5-dimethyl-2-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62780873
2-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738922
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid
CID 55245219
2-(piperidin-1-ylsulfonylamino)pyridine-3-carboxylic acid
CID 63654456
2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 4739578
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356
2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654276
2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63653933

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid (CID 63654101) is 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid is Cn1cnc(S(=O)(=O)Nc2ncccc2C(=O)O)c1.
What is the InChIKey of 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is QDBOKOGSMNMEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c1-14-5-8(12-6-14)19(17,18)13-9-7(10(15)16)3-2-4-11-9/h2-6H,1H3,(H,11,13)(H,15,16).
What are the key properties of 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63654101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).