5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile

C13H12N2OS — CID 11593943

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile
SMILESCCc1cc(-c2ccc(C#N)s2)c(C)[nH]c1=O
InChIInChI=1S/C13H12N2OS/c1-3-9-6-11(8(2)15-13(9)16)12-5-4-10(7-14)17-12/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyPEQMBIBKPUOHMT-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.85
Rot. Bonds2

About 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile (PubChem CID 11593943) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile
PubChem CID11593943
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile
SMILESCCc1cc(-c2ccc(C#N)s2)c(C)[nH]c1=O
InChIInChI=1S/C13H12N2OS/c1-3-9-6-11(8(2)15-13(9)16)12-5-4-10(7-14)17-12/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyPEQMBIBKPUOHMT-UHFFFAOYSA-N
XLogP2.85
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 825326
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CID 25190449
CID 25190449
CID 5720119
CID 5720119
CID 2743463
CID 2743463
CID 15359749
CID 15359749
CID 679432
CID 679432
CID 840916
CID 840916
CID 2814582
CID 2814582
CID 123552257
CID 123552257
CID 134159697
CID 134159697
CID 171855025
CID 171855025
CID 106516099
CID 106516099

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile (CID 11593943) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile is CCc1cc(-c2ccc(C#N)s2)c(C)[nH]c1=O.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile?
The InChIKey is PEQMBIBKPUOHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-3-9-6-11(8(2)15-13(9)16)12-5-4-10(7-14)17-12/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 11593943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).