N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide

C10H14N2O4S — CID 103337450

IUPACN-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C10H14N2O4S/c1-2-17(15,16)6-5-12-10(14)8-7-11-4-3-9(8)13/h3-4,7H,2,5-6H2,1H3,(H,11,13)(H,12,14)
InChIKeyWZDJBKCXHHWABX-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.46
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide

N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337450) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337450
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC NameN-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C10H14N2O4S/c1-2-17(15,16)6-5-12-10(14)8-7-11-4-3-9(8)13/h3-4,7H,2,5-6H2,1H3,(H,11,13)(H,12,14)
InChIKeyWZDJBKCXHHWABX-UHFFFAOYSA-N
XLogP-0.46
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103337450) is N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide is CCS(=O)(=O)CCNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WZDJBKCXHHWABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-2-17(15,16)6-5-12-10(14)8-7-11-4-3-9(8)13/h3-4,7H,2,5-6H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).