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

C9H12N2O4S — CID 103337313

IUPACN-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C9H12N2O4S/c1-16(14,15)5-4-11-9(13)7-6-10-3-2-8(7)12/h2-3,6H,4-5H2,1H3,(H,10,12)(H,11,13)
InChIKeyPWOLUJWVNPRVGO-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.85
Rot. Bonds4

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

N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337313) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337313
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC NameN-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C9H12N2O4S/c1-16(14,15)5-4-11-9(13)7-6-10-3-2-8(7)12/h2-3,6H,4-5H2,1H3,(H,10,12)(H,11,13)
InChIKeyPWOLUJWVNPRVGO-UHFFFAOYSA-N
XLogP-0.85
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103337313) is N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide is CS(=O)(=O)CCNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PWOLUJWVNPRVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-16(14,15)5-4-11-9(13)7-6-10-3-2-8(7)12/h2-3,6H,4-5H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 244.27 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).