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

C23H24N2O — CID 122362678

IUPAC2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCc1ccc(C2=C(C#N)C(=O)NC(C)(c3ccc(C)c(C)c3)C2)cc1C
InChIInChI=1S/C23H24N2O/c1-14-6-8-18(10-16(14)3)20-12-23(5,25-22(26)21(20)13-24)19-9-7-15(2)17(4)11-19/h6-11H,12H2,1-5H3,(H,25,26)
InChIKeyKHNFEVRQAJEVIX-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.63
Rot. Bonds2

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

2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile (PubChem CID 122362678) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
PubChem CID122362678
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCc1ccc(C2=C(C#N)C(=O)NC(C)(c3ccc(C)c(C)c3)C2)cc1C
InChIInChI=1S/C23H24N2O/c1-14-6-8-18(10-16(14)3)20-12-23(5,25-22(26)21(20)13-24)19-9-7-15(2)17(4)11-19/h6-11H,12H2,1-5H3,(H,25,26)
InChIKeyKHNFEVRQAJEVIX-UHFFFAOYSA-N
XLogP4.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile (CID 122362678) is 2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile is Cc1ccc(C2=C(C#N)C(=O)NC(C)(c3ccc(C)c(C)c3)C2)cc1C.
What is the InChIKey of 2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is KHNFEVRQAJEVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-14-6-8-18(10-16(14)3)20-12-23(5,25-22(26)21(20)13-24)19-9-7-15(2)17(4)11-19/h6-11H,12H2,1-5H3,(H,25,26).
What are the key properties of 2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 344.46 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,4-dimethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 122362678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).