6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

C19H16N2O2S — CID 19656658

IUPAC6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(C)s3)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C19H16N2O2S/c1-3-23-14-7-5-13(6-8-14)17-10-15(16(11-20)19(22)21-17)18-9-4-12(2)24-18/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyCJRZIMBPDDJKHC-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.35
Rot. Bonds4

About 6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656658) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656658
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(C)s3)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C19H16N2O2S/c1-3-23-14-7-5-13(6-8-14)17-10-15(16(11-20)19(22)21-17)18-9-4-12(2)24-18/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyCJRZIMBPDDJKHC-UHFFFAOYSA-N
XLogP4.35
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656658) is 6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3ccc(C)s3)c(C#N)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is CJRZIMBPDDJKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-3-23-14-7-5-13(6-8-14)17-10-15(16(11-20)19(22)21-17)18-9-4-12(2)24-18/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of 6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 336.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).