5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid

C10H13N3O5S — CID 61150263

IUPAC5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C10H13N3O5S/c11-19(17,18)5-1-4-12-9(14)7-2-3-8(10(15)16)13-6-7/h2-3,6H,1,4-5H2,(H,12,14)(H,15,16)(H2,11,17,18)
InChIKeyBXHZDJNXAMFEIY-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.81
Rot. Bonds6

About 5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid

5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 61150263) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID61150263
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C10H13N3O5S/c11-19(17,18)5-1-4-12-9(14)7-2-3-8(10(15)16)13-6-7/h2-3,6H,1,4-5H2,(H,12,14)(H,15,16)(H2,11,17,18)
InChIKeyBXHZDJNXAMFEIY-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

4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 113385015
5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 115490708
5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090654
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 154857316
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide
CID 112733928
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687

Frequently Asked Questions

What is the IUPAC name of 5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid (CID 61150263) is 5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid is NS(=O)(=O)CCCNC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is BXHZDJNXAMFEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c11-19(17,18)5-1-4-12-9(14)7-2-3-8(10(15)16)13-6-7/h2-3,6H,1,4-5H2,(H,12,14)(H,15,16)(H2,11,17,18).
What are the key properties of 5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid?
5-(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 5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 61150263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).