5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide

C12H18N4O4S — CID 141012530

IUPAC5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2c[nH]c(=O)c(C(N)=O)c2)CC1
InChIInChI=1S/C12H18N4O4S/c1-2-15-3-5-16(6-4-15)21(19,20)9-7-10(11(13)17)12(18)14-8-9/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,18)
InChIKeyOHRSAKWIWKJWAF-UHFFFAOYSA-N
MW314.37 g/mol
LogP-1.20
Rot. Bonds4

About 5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide

5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 141012530) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID141012530
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2c[nH]c(=O)c(C(N)=O)c2)CC1
InChIInChI=1S/C12H18N4O4S/c1-2-15-3-5-16(6-4-15)21(19,20)9-7-10(11(13)17)12(18)14-8-9/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,18)
InChIKeyOHRSAKWIWKJWAF-UHFFFAOYSA-N
XLogP-1.20
TPSA116.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide (CID 141012530) is 5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide is CCN1CCN(S(=O)(=O)c2c[nH]c(=O)c(C(N)=O)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OHRSAKWIWKJWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-2-15-3-5-16(6-4-15)21(19,20)9-7-10(11(13)17)12(18)14-8-9/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,18).
What are the key properties of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide?
5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 141012530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).