2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

C18H19N3OS — CID 648554

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C18H19N3OS/c1-12-4-6-15(7-5-12)10-20-17(22)11-23-18-16(9-19)13(2)8-14(3)21-18/h4-8H,10-11H2,1-3H3,(H,20,22)
InChIKeyODUYEPKIKZYBIY-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.29
Rot. Bonds5

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 648554) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID648554
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C18H19N3OS/c1-12-4-6-15(7-5-12)10-20-17(22)11-23-18-16(9-19)13(2)8-14(3)21-18/h4-8H,10-11H2,1-3H3,(H,20,22)
InChIKeyODUYEPKIKZYBIY-UHFFFAOYSA-N
XLogP3.29
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]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-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (CID 648554) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C#N)cc1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is ODUYEPKIKZYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-4-6-15(7-5-12)10-20-17(22)11-23-18-16(9-19)13(2)8-14(3)21-18/h4-8H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 325.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 648554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).