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

C22H20N2O — CID 628684

IUPAC4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C22H20N2O/c1-22(2,3)17-11-9-15(10-12-17)18-13-20(16-7-5-4-6-8-16)24-21(25)19(18)14-23/h4-13H,1-3H3,(H,24,25)
InChIKeyHMBUUJKXZYVAIF-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.88
Rot. Bonds2

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

4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 628684) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
PubChem CID628684
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C22H20N2O/c1-22(2,3)17-11-9-15(10-12-17)18-13-20(16-7-5-4-6-8-16)24-21(25)19(18)14-23/h4-13H,1-3H3,(H,24,25)
InChIKeyHMBUUJKXZYVAIF-UHFFFAOYSA-N
XLogP4.88
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (CID 628684) is 4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is CC(C)(C)c1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is HMBUUJKXZYVAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-22(2,3)17-11-9-15(10-12-17)18-13-20(16-7-5-4-6-8-16)24-21(25)19(18)14-23/h4-13H,1-3H3,(H,24,25).
What are the key properties of 4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 628684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).