3-(propylsulfamoylamino)pyridine-2-carboxylic acid

C9H13N3O4S — CID 114807104

IUPAC3-(propylsulfamoylamino)pyridine-2-carboxylic acid
SMILESCCCNS(=O)(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C9H13N3O4S/c1-2-5-11-17(15,16)12-7-4-3-6-10-8(7)9(13)14/h3-4,6,11-12H,2,5H2,1H3,(H,13,14)
InChIKeyPXUYPIDXXGQZOT-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.44
Rot. Bonds6

About 3-(propylsulfamoylamino)pyridine-2-carboxylic acid

3-(propylsulfamoylamino)pyridine-2-carboxylic acid (PubChem CID 114807104) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-(propylsulfamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(propylsulfamoylamino)pyridine-2-carboxylic acid
PubChem CID114807104
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name3-(propylsulfamoylamino)pyridine-2-carboxylic acid
SMILESCCCNS(=O)(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C9H13N3O4S/c1-2-5-11-17(15,16)12-7-4-3-6-10-8(7)9(13)14/h3-4,6,11-12H,2,5H2,1H3,(H,13,14)
InChIKeyPXUYPIDXXGQZOT-UHFFFAOYSA-N
XLogP0.44
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Picolinic acid
CID 1018
3-Aminopicolinic acid
CID 73836
2-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71559
5-Acetamidopyridine-2-carboxylic acid
CID 5278292
4-Aminopicolinic acid
CID 2050132
5-Aminopyridine-2-carboxylic acid
CID 4179726
3-Nitropyridine-2-carboxylic acid
CID 18376612
5-Methanesulfonamidopyridine-2-carboxylic acid
CID 5278288
4-(Methylamino)-2-pyridinecarboxylic acid
CID 2050133
Ethyl 3-aminopyridine-2-carboxylate
CID 565054
Homarine hydrochloride
CID 13645641
5-(Ethanethioylamino)pyridine-2-carboxylic acid
CID 5278293

Frequently Asked Questions

What is the IUPAC name of 3-(propylsulfamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(propylsulfamoylamino)pyridine-2-carboxylic acid (CID 114807104) is 3-(propylsulfamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(propylsulfamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(propylsulfamoylamino)pyridine-2-carboxylic acid is CCCNS(=O)(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(propylsulfamoylamino)pyridine-2-carboxylic acid?
The InChIKey is PXUYPIDXXGQZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-2-5-11-17(15,16)12-7-4-3-6-10-8(7)9(13)14/h3-4,6,11-12H,2,5H2,1H3,(H,13,14).
What are the key properties of 3-(propylsulfamoylamino)pyridine-2-carboxylic acid?
3-(propylsulfamoylamino)pyridine-2-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylsulfamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114807104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).