4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide

C12H18N4O3S — CID 133443019

IUPAC4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCS(=O)(=O)N1CCN(c2ccncc2C(N)=O)CC1
InChIInChI=1S/C12H18N4O3S/c1-2-20(18,19)16-7-5-15(6-8-16)11-3-4-14-9-10(11)12(13)17/h3-4,9H,2,5-8H2,1H3,(H2,13,17)
InChIKeyKFWSILRCHWDJIS-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.35
Rot. Bonds4

About 4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide

4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 133443019) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID133443019
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCS(=O)(=O)N1CCN(c2ccncc2C(N)=O)CC1
InChIInChI=1S/C12H18N4O3S/c1-2-20(18,19)16-7-5-15(6-8-16)11-3-4-14-9-10(11)12(13)17/h3-4,9H,2,5-8H2,1H3,(H2,13,17)
InChIKeyKFWSILRCHWDJIS-UHFFFAOYSA-N
XLogP-0.35
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide (CID 133443019) is 4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide is CCS(=O)(=O)N1CCN(c2ccncc2C(N)=O)CC1.
What is the InChIKey of 4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is KFWSILRCHWDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-2-20(18,19)16-7-5-15(6-8-16)11-3-4-14-9-10(11)12(13)17/h3-4,9H,2,5-8H2,1H3,(H2,13,17).
What are the key properties of 4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide?
4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133443019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).