4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C19H16N2OS — CID 19657109

IUPAC4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3cc(C)sc3C)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C19H16N2OS/c1-11-4-6-14(7-5-11)18-9-16(17(10-20)19(22)21-18)15-8-12(2)23-13(15)3/h4-9H,1-3H3,(H,21,22)
InChIKeyAOAZLTSDTQGZEK-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.57
Rot. Bonds2

About 4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19657109) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19657109
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3cc(C)sc3C)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C19H16N2OS/c1-11-4-6-14(7-5-11)18-9-16(17(10-20)19(22)21-18)15-8-12(2)23-13(15)3/h4-9H,1-3H3,(H,21,22)
InChIKeyAOAZLTSDTQGZEK-UHFFFAOYSA-N
XLogP4.57
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19657109) is 4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3cc(C)sc3C)c(C#N)c(=O)[nH]2)cc1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is AOAZLTSDTQGZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-11-4-6-14(7-5-11)18-9-16(17(10-20)19(22)21-18)15-8-12(2)23-13(15)3/h4-9H,1-3H3,(H,21,22).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 320.42 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19657109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).