2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide

C12H15N3OS — CID 750134

IUPAC2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCCc1c(C)nc(SCC(N)=O)c(C#N)c1C
InChIInChI=1S/C12H15N3OS/c1-4-9-7(2)10(5-13)12(15-8(9)3)17-6-11(14)16/h4,6H2,1-3H3,(H2,14,16)
InChIKeyWUOYNYXRBIVXOM-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.71
Rot. Bonds4

About 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide

2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 750134) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID750134
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCCc1c(C)nc(SCC(N)=O)c(C#N)c1C
InChIInChI=1S/C12H15N3OS/c1-4-9-7(2)10(5-13)12(15-8(9)3)17-6-11(14)16/h4,6H2,1-3H3,(H2,14,16)
InChIKeyWUOYNYXRBIVXOM-UHFFFAOYSA-N
XLogP1.71
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-5-ethyl-4,6-dimethyl-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-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide (CID 750134) is 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide is CCc1c(C)nc(SCC(N)=O)c(C#N)c1C.
What is the InChIKey of 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is WUOYNYXRBIVXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-4-9-7(2)10(5-13)12(15-8(9)3)17-6-11(14)16/h4,6H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 249.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 750134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).