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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).