N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide

C20H24N4O4S — CID 47797104

IUPACN-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C20H24N4O4S/c1-23(2)29(27,28)18-7-5-15(6-8-18)20(26)24-12-9-17(10-13-24)22-19(25)16-4-3-11-21-14-16/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyULVGOPCCEUJAFY-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.37
Rot. Bonds5

About N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47797104) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47797104
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C20H24N4O4S/c1-23(2)29(27,28)18-7-5-15(6-8-18)20(26)24-12-9-17(10-13-24)22-19(25)16-4-3-11-21-14-16/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyULVGOPCCEUJAFY-UHFFFAOYSA-N
XLogP1.37
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836552
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide (CID 47797104) is N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is ULVGOPCCEUJAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-23(2)29(27,28)18-7-5-15(6-8-18)20(26)24-12-9-17(10-13-24)22-19(25)16-4-3-11-21-14-16/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47797104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).