2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide

C16H15N3O2S — CID 572433

IUPAC2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1[nH]c(=O)cc(C)c1C#N
InChIInChI=1S/C16H15N3O2S/c1-10-5-3-4-6-13(10)18-15(21)9-22-16-12(8-17)11(2)7-14(20)19-16/h3-7H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMSAGNURGBBQQJD-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.59
Rot. Bonds4

About 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide

2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 572433) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID572433
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1[nH]c(=O)cc(C)c1C#N
InChIInChI=1S/C16H15N3O2S/c1-10-5-3-4-6-13(10)18-15(21)9-22-16-12(8-17)11(2)7-14(20)19-16/h3-7H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMSAGNURGBBQQJD-UHFFFAOYSA-N
XLogP2.59
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide (CID 572433) is 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1[nH]c(=O)cc(C)c1C#N.
What is the InChIKey of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is MSAGNURGBBQQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-5-3-4-6-13(10)18-15(21)9-22-16-12(8-17)11(2)7-14(20)19-16/h3-7H,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 572433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).