6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C21H18N2O3 — CID 19656504

IUPAC6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(C)cc3C)[nH]c(=O)c2C#N)ccc1O
InChIInChI=1S/C21H18N2O3/c1-12-4-6-15(13(2)8-12)18-10-16(17(11-22)21(25)23-18)14-5-7-19(24)20(9-14)26-3/h4-10,24H,1-3H3,(H,23,25)
InChIKeyMVEVUTJFRSBILL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.91
Rot. Bonds3

About 6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656504) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656504
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(C)cc3C)[nH]c(=O)c2C#N)ccc1O
InChIInChI=1S/C21H18N2O3/c1-12-4-6-15(13(2)8-12)18-10-16(17(11-22)21(25)23-18)14-5-7-19(24)20(9-14)26-3/h4-10,24H,1-3H3,(H,23,25)
InChIKeyMVEVUTJFRSBILL-UHFFFAOYSA-N
XLogP3.91
TPSA86.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656504) is 6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1cc(-c2cc(-c3ccc(C)cc3C)[nH]c(=O)c2C#N)ccc1O.
What is the InChIKey of 6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MVEVUTJFRSBILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-12-4-6-15(13(2)8-12)18-10-16(17(11-22)21(25)23-18)14-5-7-19(24)20(9-14)26-3/h4-10,24H,1-3H3,(H,23,25).
What are the key properties of 6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).