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

C18H19N3OS — CID 856154

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C18H19N3OS/c1-11-5-6-12(2)16(7-11)21-17(22)10-23-18-15(9-19)13(3)8-14(4)20-18/h5-8H,10H2,1-4H3,(H,21,22)
InChIKeyVKPWGZMIXJBFQD-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.92
Rot. Bonds4

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

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 856154) 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-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID856154
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C18H19N3OS/c1-11-5-6-12(2)16(7-11)21-17(22)10-23-18-15(9-19)13(3)8-14(4)20-18/h5-8H,10H2,1-4H3,(H,21,22)
InChIKeyVKPWGZMIXJBFQD-UHFFFAOYSA-N
XLogP3.92
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide (CID 856154) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSc2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is VKPWGZMIXJBFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-5-6-12(2)16(7-11)21-17(22)10-23-18-15(9-19)13(3)8-14(4)20-18/h5-8H,10H2,1-4H3,(H,21,22).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 325.44 g/mol, XLogP of 3.92, 4 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-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 856154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).