N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide

C15H24N4O3S — CID 126818620

IUPACN-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCC2CCCN(C)C2)cn1
InChIInChI=1S/C15H24N4O3S/c1-16-23(21,22)14-6-5-13(10-18-14)15(20)17-8-7-12-4-3-9-19(2)11-12/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3,(H,17,20)
InChIKeySTJOAVALSBJGOH-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.45
Rot. Bonds6

About N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide

N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide (PubChem CID 126818620) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
PubChem CID126818620
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCC2CCCN(C)C2)cn1
InChIInChI=1S/C15H24N4O3S/c1-16-23(21,22)14-6-5-13(10-18-14)15(20)17-8-7-12-4-3-9-19(2)11-12/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3,(H,17,20)
InChIKeySTJOAVALSBJGOH-UHFFFAOYSA-N
XLogP0.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
CID 95194154
5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide
CID 97217875
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 95197422
3-[[6-(methylsulfamoyl)pyridine-3-carbonyl]amino]propyl thiocyanate
CID 122153228
N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 95216055
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133315644
4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 56722819
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide
CID 62656966
6-(methylsulfamoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyridine-3-carboxamide
CID 122153605
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126828084

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide (CID 126818620) is N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NCCC2CCCN(C)C2)cn1.
What is the InChIKey of N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The InChIKey is STJOAVALSBJGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-16-23(21,22)14-6-5-13(10-18-14)15(20)17-8-7-12-4-3-9-19(2)11-12/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide is sourced from PubChem (CID 126818620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).