5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid

C9H14N4O4S — CID 114406222

IUPAC5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1NCCCS(N)(=O)=O
InChIInChI=1S/C9H14N4O4S/c10-6-2-3-7(9(14)15)13-8(6)12-4-1-5-18(11,16)17/h2-3H,1,4-5,10H2,(H,12,13)(H,14,15)(H2,11,16,17)
InChIKeySSESFFPGTWBION-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.55
Rot. Bonds6

About 5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid

5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid (PubChem CID 114406222) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
PubChem CID114406222
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1NCCCS(N)(=O)=O
InChIInChI=1S/C9H14N4O4S/c10-6-2-3-7(9(14)15)13-8(6)12-4-1-5-18(11,16)17/h2-3H,1,4-5,10H2,(H,12,13)(H,14,15)(H2,11,16,17)
InChIKeySSESFFPGTWBION-UHFFFAOYSA-N
XLogP-0.55
TPSA148.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
CID 114407985
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789
5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 115490708
5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114404985
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 81132077
5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114139636
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 106106239
5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
CID 114407658
5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
CID 114406169

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid (CID 114406222) is 5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1NCCCS(N)(=O)=O.
What is the InChIKey of 5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid?
The InChIKey is SSESFFPGTWBION-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c10-6-2-3-7(9(14)15)13-8(6)12-4-1-5-18(11,16)17/h2-3H,1,4-5,10H2,(H,12,13)(H,14,15)(H2,11,16,17).
What are the key properties of 5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid?
5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of -0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114406222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).