N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C9H12N2O4S — CID 144617970

IUPACN-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C9H12N2O4S/c1-3-16(14,15)11-9(13)7-5-10-6(2)4-8(7)12/h4-5H,3H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyHFVBXQVZZQJHNF-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.24
Rot. Bonds3

About N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 144617970) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID144617970
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC NameN-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C9H12N2O4S/c1-3-16(14,15)11-9(13)7-5-10-6(2)4-8(7)12/h4-5H,3H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyHFVBXQVZZQJHNF-UHFFFAOYSA-N
XLogP-0.24
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 144617970) is N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCS(=O)(=O)NC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HFVBXQVZZQJHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-3-16(14,15)11-9(13)7-5-10-6(2)4-8(7)12/h4-5H,3H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 244.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 144617970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).