6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid

C11H17N3O4S — CID 106339913

IUPAC6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C11H17N3O4S/c1-3-13-19(17,18)7-6-12-10-5-4-9(11(15)16)8(2)14-10/h4-5,13H,3,6-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyNXICGLBTDNKQMX-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.44
Rot. Bonds7

About 6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid

6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid (PubChem CID 106339913) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid
PubChem CID106339913
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C11H17N3O4S/c1-3-13-19(17,18)7-6-12-10-5-4-9(11(15)16)8(2)14-10/h4-5,13H,3,6-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyNXICGLBTDNKQMX-UHFFFAOYSA-N
XLogP0.44
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 106339900
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 114176009
6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 107317986
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid
CID 106342808
2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid
CID 106339929
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334265
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 106136497
2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid
CID 113412914
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide
CID 104924254
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918035
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334326

Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid (CID 106339913) is 6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid is CCNS(=O)(=O)CCNc1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid?
The InChIKey is NXICGLBTDNKQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-13-19(17,18)7-6-12-10-5-4-9(11(15)16)8(2)14-10/h4-5,13H,3,6-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid?
6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 106339913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).