4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C20H16N2O4 — CID 10360369

IUPAC4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3ccccc3O)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C20H16N2O4/c1-25-12-7-8-19(26-2)15(9-12)14-10-17(22-20(24)16(14)11-21)13-5-3-4-6-18(13)23/h3-10,23H,1-2H3,(H,22,24)
InChIKeyVBQYTBPOWJNQBQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.30
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 10360369) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID10360369
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3ccccc3O)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C20H16N2O4/c1-25-12-7-8-19(26-2)15(9-12)14-10-17(22-20(24)16(14)11-21)13-5-3-4-6-18(13)23/h3-10,23H,1-2H3,(H,22,24)
InChIKeyVBQYTBPOWJNQBQ-UHFFFAOYSA-N
XLogP3.30
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 10360369) is 4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(OC)c(-c2cc(-c3ccccc3O)[nH]c(=O)c2C#N)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VBQYTBPOWJNQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-25-12-7-8-19(26-2)15(9-12)14-10-17(22-20(24)16(14)11-21)13-5-3-4-6-18(13)23/h3-10,23H,1-2H3,(H,22,24).
What are the key properties of 4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 348.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 10360369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).