6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid

C13H13N3O4S — CID 61320443

IUPAC6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)CCc2ccncc2)nc1
InChIInChI=1S/C13H13N3O4S/c17-13(18)11-1-2-12(15-9-11)16-21(19,20)8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,16)(H,17,18)
InChIKeyQMXXLAKUBMWCMX-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.16
Rot. Bonds6

About 6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid

6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid (PubChem CID 61320443) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid
PubChem CID61320443
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)CCc2ccncc2)nc1
InChIInChI=1S/C13H13N3O4S/c17-13(18)11-1-2-12(15-9-11)16-21(19,20)8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,16)(H,17,18)
InChIKeyQMXXLAKUBMWCMX-UHFFFAOYSA-N
XLogP1.16
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(propylsulfonylamino)pyridine-3-carboxylic acid
CID 61318389
6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
CID 55232021
6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61456601
2-ethyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 79806634
3-methyl-5-(2-pyridin-4-ylethylsulfonylamino)thiophene-2-carboxylic acid
CID 60892478
N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113029780
N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 60893054
N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide
CID 113025343
4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 60915127
6-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-3-carboxylic acid
CID 103298756
N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 114052143

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid (CID 61320443) is 6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid is O=C(O)c1ccc(NS(=O)(=O)CCc2ccncc2)nc1.
What is the InChIKey of 6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid?
The InChIKey is QMXXLAKUBMWCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c17-13(18)11-1-2-12(15-9-11)16-21(19,20)8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,16)(H,17,18).
What are the key properties of 6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid?
6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 61320443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).