2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide

C9H14N4O3S — CID 106337875

IUPAC2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
SMILESCNS(=O)(=O)CCNc1ncccc1C(N)=O
InChIInChI=1S/C9H14N4O3S/c1-11-17(15,16)6-5-13-9-7(8(10)14)3-2-4-12-9/h2-4,11H,5-6H2,1H3,(H2,10,14)(H,12,13)
InChIKeySZDGIJXEYSCZCK-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.86
Rot. Bonds6

About 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide

2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide (PubChem CID 106337875) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
PubChem CID106337875
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
SMILESCNS(=O)(=O)CCNc1ncccc1C(N)=O
InChIInChI=1S/C9H14N4O3S/c1-11-17(15,16)6-5-13-9-7(8(10)14)3-2-4-12-9/h2-4,11H,5-6H2,1H3,(H2,10,14)(H,12,13)
InChIKeySZDGIJXEYSCZCK-UHFFFAOYSA-N
XLogP-0.86
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
2-[(3-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334011
3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide
CID 106339226
3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide
CID 106339198
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334140

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide (CID 106337875) is 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide is CNS(=O)(=O)CCNc1ncccc1C(N)=O.
What is the InChIKey of 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is SZDGIJXEYSCZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-11-17(15,16)6-5-13-9-7(8(10)14)3-2-4-12-9/h2-4,11H,5-6H2,1H3,(H2,10,14)(H,12,13).
What are the key properties of 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide?
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 106337875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).