2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

C13H12N2OS — CID 57446308

IUPAC2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCC(C)c1cc(-c2cccs2)[nH]c(=O)c1C#N
InChIInChI=1S/C13H12N2OS/c1-8(2)9-6-11(12-4-3-5-17-12)15-13(16)10(9)7-14/h3-6,8H,1-2H3,(H,15,16)
InChIKeyGPFKKQLFDDJMIS-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.10
Rot. Bonds2

About 2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 57446308) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID57446308
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCC(C)c1cc(-c2cccs2)[nH]c(=O)c1C#N
InChIInChI=1S/C13H12N2OS/c1-8(2)9-6-11(12-4-3-5-17-12)15-13(16)10(9)7-14/h3-6,8H,1-2H3,(H,15,16)
InChIKeyGPFKKQLFDDJMIS-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile
CID 2816326
2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 698147
3-Cyano-2-hydroxy-6-(2-thienyl)-pyridine
CID 825326
2-Oxo-4-(thiophen-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 25190449
4-methylsulfinyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 118725986
2-Methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile
CID 657957
4-methylsulfanyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 2743463
1-Amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2728505
Sbb041877
CID 786829
2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile
CID 19656803
2-oxo-4-(4-propan-2-ylphenyl)-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 76321680
N-(1-thiophen-2-ylethenyl)acetamide
CID 10855870

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 57446308) is 2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is CC(C)c1cc(-c2cccs2)[nH]c(=O)c1C#N.
What is the InChIKey of 2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is GPFKKQLFDDJMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-8(2)9-6-11(12-4-3-5-17-12)15-13(16)10(9)7-14/h3-6,8H,1-2H3,(H,15,16).
What are the key properties of 2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-propan-2-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 57446308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).