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

C10H14N2O4S — CID 103696440

IUPAC6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCS(C)(=O)=O)c[nH]1
InChIInChI=1S/C10H14N2O4S/c1-7-5-9(13)8(6-12-7)10(14)11-3-4-17(2,15)16/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyAOPDBEYXUVCWCM-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.54
Rot. Bonds4

About 6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103696440) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103696440
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCS(C)(=O)=O)c[nH]1
InChIInChI=1S/C10H14N2O4S/c1-7-5-9(13)8(6-12-7)10(14)11-3-4-17(2,15)16/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyAOPDBEYXUVCWCM-UHFFFAOYSA-N
XLogP-0.54
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 113247102
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6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide
CID 89503925
6-methyl-N-methylsulfonyl-4-oxo-1H-pyridine-3-carboxamide
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CID 144251563
N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 144617970
ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide
CID 144731069
6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide
CID 152875430
6-ethyl-N-methylsulfonyl-4-oxo-1H-pyridine-3-carboxamide
CID 166717787
6-methyl-N-[2-(methylsulfamoyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 102685033
N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337313
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CID 103337450

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103696440) is 6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCS(C)(=O)=O)c[nH]1.
What is the InChIKey of 6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AOPDBEYXUVCWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-7-5-9(13)8(6-12-7)10(14)11-3-4-17(2,15)16/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103696440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).