N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide

C13H22N4O3S — CID 106342677

IUPACN-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H22N4O3S/c1-4-6-15-12-10-14-7-5-11(12)13(18)16-8-9-21(19,20)17(2)3/h5,7,10,15H,4,6,8-9H2,1-3H3,(H,16,18)
InChIKeyDSYOACCRBAEPMG-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.52
Rot. Bonds8

About N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide

N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide (PubChem CID 106342677) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
PubChem CID106342677
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H22N4O3S/c1-4-6-15-12-10-14-7-5-11(12)13(18)16-8-9-21(19,20)17(2)3/h5,7,10,15H,4,6,8-9H2,1-3H3,(H,16,18)
InChIKeyDSYOACCRBAEPMG-UHFFFAOYSA-N
XLogP0.52
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
CID 106340949
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236
N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071332
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
3-(propylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 105069612
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106050385
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide (CID 106342677) is N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NCCS(=O)(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is DSYOACCRBAEPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-6-15-12-10-14-7-5-11(12)13(18)16-8-9-21(19,20)17(2)3/h5,7,10,15H,4,6,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 106342677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).