2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide

C12H15N3OS — CID 872830

IUPAC2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCC(C)Cc1ccc(C#N)c(SCC(N)=O)n1
InChIInChI=1S/C12H15N3OS/c1-8(2)5-10-4-3-9(6-13)12(15-10)17-7-11(14)16/h3-4,8H,5,7H2,1-2H3,(H2,14,16)
InChIKeyQYJHIQOGLVQUBN-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.73
Rot. Bonds5

About 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide

2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 872830) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID872830
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCC(C)Cc1ccc(C#N)c(SCC(N)=O)n1
InChIInChI=1S/C12H15N3OS/c1-8(2)5-10-4-3-9(6-13)12(15-10)17-7-11(14)16/h3-4,8H,5,7H2,1-2H3,(H2,14,16)
InChIKeyQYJHIQOGLVQUBN-UHFFFAOYSA-N
XLogP1.73
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]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-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide (CID 872830) is 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide is CC(C)Cc1ccc(C#N)c(SCC(N)=O)n1.
What is the InChIKey of 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is QYJHIQOGLVQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(2)5-10-4-3-9(6-13)12(15-10)17-7-11(14)16/h3-4,8H,5,7H2,1-2H3,(H2,14,16).
What are the key properties of 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide?
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 249.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 872830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).