2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide

C11H11N3O2S — CID 873171

IUPAC2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCC(=O)c1cc(C#N)c(SCC(N)=O)nc1C
InChIInChI=1S/C11H11N3O2S/c1-6-9(7(2)15)3-8(4-12)11(14-6)17-5-10(13)16/h3H,5H2,1-2H3,(H2,13,16)
InChIKeyFDDBJVUZBNKEFV-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.04
Rot. Bonds4

About 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide

2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 873171) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID873171
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCC(=O)c1cc(C#N)c(SCC(N)=O)nc1C
InChIInChI=1S/C11H11N3O2S/c1-6-9(7(2)15)3-8(4-12)11(14-6)17-5-10(13)16/h3H,5H2,1-2H3,(H2,13,16)
InChIKeyFDDBJVUZBNKEFV-UHFFFAOYSA-N
XLogP1.04
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methylpyridine-3-carbonitrile
CID 657971
2-[(5-Acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetic acid ethyl ester
CID 658166
Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
CID 660422
5-Acetyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-6-methylpyridine-3-carbonitrile
CID 683835
2-[2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetylamino]-benzamide
CID 655086
5-Acetyl-2-(2-cyano-benzylsulfanyl)-6-methyl-nicotinonitrile
CID 792263
5-Acetyl-6-methyl-2-[(3-methylbutyl)thio]nicotinonitrile
CID 972528
Ethyl {[5-acetyl-3-(aminocarbonyl)-6-methyl-2-pyridinyl]thio}acetate
CID 975054
Propan-2-yl 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetate
CID 2312770
Ethyl 5-cyano-6-({2-[5-cyano-2-methyl-6-(methylsulfanyl)pyridin-3-yl]-2-oxoethyl}sulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylate
CID 2325794
5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile
CID 2767378
Methyl [(3-cyano-5-oxo-5,6,7,8-tetrahydro-2-quinolinyl)thio]acetate
CID 2941982

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide (CID 873171) is 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide is CC(=O)c1cc(C#N)c(SCC(N)=O)nc1C.
What is the InChIKey of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is FDDBJVUZBNKEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-6-9(7(2)15)3-8(4-12)11(14-6)17-5-10(13)16/h3H,5H2,1-2H3,(H2,13,16).
What are the key properties of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 249.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 873171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).