N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide

C22H30N4O3S — CID 46489174

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccnc2N2CCCCC2)ccc1C
InChIInChI=1S/C22H30N4O3S/c1-4-26(5-2)30(28,29)20-16-18(12-11-17(20)3)24-22(27)19-10-9-13-23-21(19)25-14-7-6-8-15-25/h9-13,16H,4-8,14-15H2,1-3H3,(H,24,27)
InChIKeyNSXJOFSDKWXUEP-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.66
Rot. Bonds7

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 46489174) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID46489174
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccnc2N2CCCCC2)ccc1C
InChIInChI=1S/C22H30N4O3S/c1-4-26(5-2)30(28,29)20-16-18(12-11-17(20)3)24-22(27)19-10-9-13-23-21(19)25-14-7-6-8-15-25/h9-13,16H,4-8,14-15H2,1-3H3,(H,24,27)
InChIKeyNSXJOFSDKWXUEP-UHFFFAOYSA-N
XLogP3.66
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 155781281
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide
CID 36771575
2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide
CID 155781458
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 4830966
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
2-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84575233

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 46489174) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccnc2N2CCCCC2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is NSXJOFSDKWXUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-4-26(5-2)30(28,29)20-16-18(12-11-17(20)3)24-22(27)19-10-9-13-23-21(19)25-14-7-6-8-15-25/h9-13,16H,4-8,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 46489174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).