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

C16H12N4O2S — CID 2393775

IUPAC2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C#N)c1C#N
InChIInChI=1S/C16H12N4O2S/c1-10-6-14(21)20-16(12(10)8-18)23-9-15(22)19-13-5-3-2-4-11(13)7-17/h2-6H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyFSYWOQMBGSTWII-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.16
Rot. Bonds4

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

2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide (PubChem CID 2393775) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
PubChem CID2393775
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C#N)c1C#N
InChIInChI=1S/C16H12N4O2S/c1-10-6-14(21)20-16(12(10)8-18)23-9-15(22)19-13-5-3-2-4-11(13)7-17/h2-6H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyFSYWOQMBGSTWII-UHFFFAOYSA-N
XLogP2.16
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-cyanophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide (CID 2393775) is 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide is Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C#N)c1C#N.
What is the InChIKey of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The InChIKey is FSYWOQMBGSTWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-10-6-14(21)20-16(12(10)8-18)23-9-15(22)19-13-5-3-2-4-11(13)7-17/h2-6H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide has a molecular weight of 324.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-cyanophenyl)acetamide is sourced from PubChem (CID 2393775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).