2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile

C21H20N2O — CID 23736802

IUPAC2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCc1ccc(C2=C(C#N)C(=O)NC(C)(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H20N2O/c1-14-4-8-16(9-5-14)18-12-21(3,23-20(24)19(18)13-22)17-10-6-15(2)7-11-17/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyLOOLUTAGRGNFEY-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.02
Rot. Bonds2

About 2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile

2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile (PubChem CID 23736802) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
PubChem CID23736802
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCc1ccc(C2=C(C#N)C(=O)NC(C)(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H20N2O/c1-14-4-8-16(9-5-14)18-12-21(3,23-20(24)19(18)13-22)17-10-6-15(2)7-11-17/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyLOOLUTAGRGNFEY-UHFFFAOYSA-N
XLogP4.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile (CID 23736802) is 2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile is Cc1ccc(C2=C(C#N)C(=O)NC(C)(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is LOOLUTAGRGNFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-14-4-8-16(9-5-14)18-12-21(3,23-20(24)19(18)13-22)17-10-6-15(2)7-11-17/h4-11H,12H2,1-3H3,(H,23,24).
What are the key properties of 2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 316.40 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4-bis(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 23736802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).