4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide

C17H20N4O3S — CID 133313373

IUPAC4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C17H20N4O3S/c18-17(22)16-12-15(6-7-19-16)20-8-10-21(11-9-20)25(23,24)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,18,22)
InChIKeyAWYNPROUOXXQEA-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.83
Rot. Bonds5

About 4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide

4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 133313373) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID133313373
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C17H20N4O3S/c18-17(22)16-12-15(6-7-19-16)20-8-10-21(11-9-20)25(23,24)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,18,22)
InChIKeyAWYNPROUOXXQEA-UHFFFAOYSA-N
XLogP0.83
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide (CID 133313373) is 4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide is NC(=O)c1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccn1.
What is the InChIKey of 4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is AWYNPROUOXXQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c18-17(22)16-12-15(6-7-19-16)20-8-10-21(11-9-20)25(23,24)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,18,22).
What are the key properties of 4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide?
4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 133313373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).