N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C10H14N2O4S — CID 167792286

IUPACN-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C10H14N2O4S/c1-4-17(15,16)12-10(14)8-6(2)5-7(3)11-9(8)13/h5H,4H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyVQDUGIPPLAXORP-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.07
Rot. Bonds3

About N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 167792286) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID167792286
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC NameN-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C10H14N2O4S/c1-4-17(15,16)12-10(14)8-6(2)5-7(3)11-9(8)13/h5H,4H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyVQDUGIPPLAXORP-UHFFFAOYSA-N
XLogP0.07
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethoxy)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 79676518
N-(2-hydroxy-4-methylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103771386
N-[(4-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106123427
(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54990799
4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide
CID 82723840
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43171214
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43469733
N-[2-(hydroxymethyl)cyclopentyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103759059
(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975629
N-ethylsulfonyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 144617970
N-(2-hydroxy-3-phenylpropyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 71849451
N-[(2R)-2-hydroxy-3-phenylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97067509

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 167792286) is N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is CCS(=O)(=O)NC(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VQDUGIPPLAXORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-4-17(15,16)12-10(14)8-6(2)5-7(3)11-9(8)13/h5H,4H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167792286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).