4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid

C10H13N3O5S — CID 113385015

IUPAC4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C10H13N3O5S/c11-19(17,18)5-1-3-13-9(14)7-2-4-12-8(6-7)10(15)16/h2,4,6H,1,3,5H2,(H,13,14)(H,15,16)(H2,11,17,18)
InChIKeyMIBXFEDCAJOKCA-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.81
Rot. Bonds6

About 4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid

4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113385015) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113385015
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C10H13N3O5S/c11-19(17,18)5-1-3-13-9(14)7-2-4-12-8(6-7)10(15)16/h2,4,6H,1,3,5H2,(H,13,14)(H,15,16)(H2,11,17,18)
InChIKeyMIBXFEDCAJOKCA-UHFFFAOYSA-N
XLogP-0.81
TPSA139.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 61150263
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid
CID 106041493
4-(3-methylsulfinylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 115730367
4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid
CID 107817694
2-amino-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 62155665
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
4-(2-tert-butylsulfinylethylcarbamoyl)pyridine-2-carboxylic acid
CID 119185141
4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790295
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113352919
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006

Frequently Asked Questions

What is the IUPAC name of 4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid (CID 113385015) is 4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid is NS(=O)(=O)CCCNC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is MIBXFEDCAJOKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c11-19(17,18)5-1-3-13-9(14)7-2-4-12-8(6-7)10(15)16/h2,4,6H,1,3,5H2,(H,13,14)(H,15,16)(H2,11,17,18).
What are the key properties of 4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid?
4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 287.30 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113385015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).