N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide

C8H10N2O2S — CID 54459493

IUPACN-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide
SMILESCNC(=O)Cn1ccc(S)cc1=O
InChIInChI=1S/C8H10N2O2S/c1-9-7(11)5-10-3-2-6(13)4-8(10)12/h2-4,13H,5H2,1H3,(H,9,11)
InChIKeyXAPOXNAGKJQELL-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.12
Rot. Bonds2

About N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide

N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide (PubChem CID 54459493) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide
PubChem CID54459493
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide
SMILESCNC(=O)Cn1ccc(S)cc1=O
InChIInChI=1S/C8H10N2O2S/c1-9-7(11)5-10-3-2-6(13)4-8(10)12/h2-4,13H,5H2,1H3,(H,9,11)
InChIKeyXAPOXNAGKJQELL-UHFFFAOYSA-N
XLogP-0.12
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypyridin-3-yl)prop-2-enamide
CID 156600118
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 45268243
2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
CID 45271636
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
CID 45272533
N-(2-Hydroxypyridin-3-yl)acetamide
CID 322049
N-(2-Hydroxy-4-(methylamino)-3-pyridinyl)acetamide
CID 353738
N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 17409434
2-(4-bromo-2-oxo-1-pyridinyl)-N-propylacetamide
CID 126837423
N-(1-Methyl-2-oxo-1,2-dihydro-3-pyridinyl)acetamide
CID 326860
2-(5-fluoro-2-oxo-1-pyridinyl)-N-methylacetamide
CID 84313539
2-(5-fluoro-2-oxo-1-pyridinyl)-N-propylacetamide
CID 84313602
1-Ethyl-3-(methylamino)pyridin-2-one
CID 18718012

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide?
The IUPAC name of N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide (CID 54459493) is N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide?
The canonical SMILES for N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide is CNC(=O)Cn1ccc(S)cc1=O.
What is the InChIKey of N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide?
The InChIKey is XAPOXNAGKJQELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-9-7(11)5-10-3-2-6(13)4-8(10)12/h2-4,13H,5H2,1H3,(H,9,11).
What are the key properties of N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide?
N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide has a molecular weight of 198.25 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide is sourced from PubChem (CID 54459493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).