N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide

C22H30N4O3S — CID 110260296

IUPACN-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2ncccc2C(=O)NCc2ccccc2)C1
InChIInChI=1S/C22H30N4O3S/c1-3-25(4-2)30(28,29)26-15-9-12-19(17-26)21-20(13-8-14-23-21)22(27)24-16-18-10-6-5-7-11-18/h5-8,10-11,13-14,19H,3-4,9,12,15-17H2,1-2H3,(H,24,27)
InChIKeyWIXJEHRJHWXXOQ-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.78
Rot. Bonds8

About N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide

N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 110260296) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide
PubChem CID110260296
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2ncccc2C(=O)NCc2ccccc2)C1
InChIInChI=1S/C22H30N4O3S/c1-3-25(4-2)30(28,29)26-15-9-12-19(17-26)21-20(13-8-14-23-21)22(27)24-16-18-10-6-5-7-11-18/h5-8,10-11,13-14,19H,3-4,9,12,15-17H2,1-2H3,(H,24,27)
InChIKeyWIXJEHRJHWXXOQ-UHFFFAOYSA-N
XLogP2.78
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide (CID 110260296) is N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide is CCN(CC)S(=O)(=O)N1CCCC(c2ncccc2C(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is WIXJEHRJHWXXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-3-25(4-2)30(28,29)26-15-9-12-19(17-26)21-20(13-8-14-23-21)22(27)24-16-18-10-6-5-7-11-18/h5-8,10-11,13-14,19H,3-4,9,12,15-17H2,1-2H3,(H,24,27).
What are the key properties of N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide?
N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110260296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).