4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C23H22N2O2 — CID 19657125

IUPAC4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C23H22N2O2/c1-23(2,3)17-10-8-15(9-11-17)19-13-21(25-22(26)20(19)14-24)16-6-5-7-18(12-16)27-4/h5-13H,1-4H3,(H,25,26)
InChIKeyKLSJNHWRKVXKDC-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.89
Rot. Bonds3

About 4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19657125) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19657125
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C23H22N2O2/c1-23(2,3)17-10-8-15(9-11-17)19-13-21(25-22(26)20(19)14-24)16-6-5-7-18(12-16)27-4/h5-13H,1-4H3,(H,25,26)
InChIKeyKLSJNHWRKVXKDC-UHFFFAOYSA-N
XLogP4.89
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684
6-(3-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1472841
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714
6-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 1475472
4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656683
6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
CID 724369
4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 11493199
4-(4-tert-butylphenyl)-6-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657131
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 116862214

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19657125) is 4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C#N)c(=O)[nH]2)c1.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is KLSJNHWRKVXKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-23(2,3)17-10-8-15(9-11-17)19-13-21(25-22(26)20(19)14-24)16-6-5-7-18(12-16)27-4/h5-13H,1-4H3,(H,25,26).
What are the key properties of 4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 358.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19657125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).