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

C9H13N3O4S — CID 115490708

IUPAC5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
SMILESNS(=O)(=O)CCCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H13N3O4S/c10-17(15,16)5-1-4-11-7-2-3-8(9(13)14)12-6-7/h2-3,6,11H,1,4-5H2,(H,13,14)(H2,10,15,16)
InChIKeyLQFRDAZATLHDCX-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.13
Rot. Bonds6

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

5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid (PubChem CID 115490708) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
PubChem CID115490708
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
SMILESNS(=O)(=O)CCCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H13N3O4S/c10-17(15,16)5-1-4-11-7-2-3-8(9(13)14)12-6-7/h2-3,6,11H,1,4-5H2,(H,13,14)(H2,10,15,16)
InChIKeyLQFRDAZATLHDCX-UHFFFAOYSA-N
XLogP-0.13
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.13
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-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 61150263
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090654
5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 114406222
5-(sulfamoylamino)pyridine-2-carboxylic acid
CID 114958996
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
CID 114518085
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949

Frequently Asked Questions

What is the IUPAC name of 5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid (CID 115490708) is 5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid is NS(=O)(=O)CCCNc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid?
The InChIKey is LQFRDAZATLHDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c10-17(15,16)5-1-4-11-7-2-3-8(9(13)14)12-6-7/h2-3,6,11H,1,4-5H2,(H,13,14)(H2,10,15,16).
What are the key properties of 5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid?
5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 115490708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).