2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide

C11H13N3OS — CID 84613487

IUPAC2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide
SMILESCSc1nc(C)c(CC(N)=O)c(C)c1C#N
InChIInChI=1S/C11H13N3OS/c1-6-8(4-10(13)15)7(2)14-11(16-3)9(6)5-12/h4H2,1-3H3,(H2,13,15)
InChIKeyWQQUFGBZEHELKM-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.32
Rot. Bonds3

About 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide

2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide (PubChem CID 84613487) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide
PubChem CID84613487
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide
SMILESCSc1nc(C)c(CC(N)=O)c(C)c1C#N
InChIInChI=1S/C11H13N3OS/c1-6-8(4-10(13)15)7(2)14-11(16-3)9(6)5-12/h4H2,1-3H3,(H2,13,15)
InChIKeyWQQUFGBZEHELKM-UHFFFAOYSA-N
XLogP1.32
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide
CID 84613480
2-[[3-cyano-5-(3-ethoxy-3-oxopropyl)-4,6-dimethyl-2-pyridinyl]sulfanyl]acetic acid
CID 650685
N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
CID 7491474
methyl 2-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)acetate
CID 84613491
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid
CID 695730
2-[(3-cyano-4,6-dimethyl-5-prop-2-enyl-2-pyridinyl)disulfanyl]-4,6-dimethyl-5-prop-2-enylpyridine-3-carbonitrile
CID 170458751
2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide
CID 16751559
ethyl 3-cyano-6-methyl-2-methylsulfanylpyridine-4-carboxylate
CID 2726217
(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
CID 7338416
ethyl 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-3-hydroxybut-2-enoate
CID 54717099
N-(4-acetamidophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl]sulfanyl]acetamide
CID 3288798
2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile
CID 11053865

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide (CID 84613487) is 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide is CSc1nc(C)c(CC(N)=O)c(C)c1C#N.
What is the InChIKey of 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide?
The InChIKey is WQQUFGBZEHELKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6-8(4-10(13)15)7(2)14-11(16-3)9(6)5-12/h4H2,1-3H3,(H2,13,15).
What are the key properties of 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide?
2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide has a molecular weight of 235.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetamide is sourced from PubChem (CID 84613487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).