2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid

C11H17N3O4S — CID 81051441

IUPAC2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCCCS(N)(=O)=O)c(C(=O)O)c(C)n1
InChIInChI=1S/C11H17N3O4S/c1-7-6-9(10(11(15)16)8(2)14-7)13-4-3-5-19(12,17)18/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyKUAUBLYWXFIQOC-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.49
Rot. Bonds6

About 2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid

2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid (PubChem CID 81051441) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid
PubChem CID81051441
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCCCS(N)(=O)=O)c(C(=O)O)c(C)n1
InChIInChI=1S/C11H17N3O4S/c1-7-6-9(10(11(15)16)8(2)14-7)13-4-3-5-19(12,17)18/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyKUAUBLYWXFIQOC-UHFFFAOYSA-N
XLogP0.49
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.49
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-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052279
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114171477
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037398
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889
2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106423238
4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053855
2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide
CID 81051566
2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
CID 79522120

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid (CID 81051441) is 2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid is Cc1cc(NCCCS(N)(=O)=O)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is KUAUBLYWXFIQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7-6-9(10(11(15)16)8(2)14-7)13-4-3-5-19(12,17)18/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H2,12,17,18).
What are the key properties of 2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid?
2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81051441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).