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

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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).