6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile

C19H22N2O — CID 168586371

IUPAC6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile
SMILESCCc1cc(CC)c(-c2cc(C)[nH]c(=O)c2C#N)c(CC)c1
InChIInChI=1S/C19H22N2O/c1-5-13-9-14(6-2)18(15(7-3)10-13)16-8-12(4)21-19(22)17(16)11-20/h8-10H,5-7H2,1-4H3,(H,21,22)
InChIKeyRVWROJBDEQEMFN-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.91
Rot. Bonds4

About 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile (PubChem CID 168586371) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile
PubChem CID168586371
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile
SMILESCCc1cc(CC)c(-c2cc(C)[nH]c(=O)c2C#N)c(CC)c1
InChIInChI=1S/C19H22N2O/c1-5-13-9-14(6-2)18(15(7-3)10-13)16-8-12(4)21-19(22)17(16)11-20/h8-10H,5-7H2,1-4H3,(H,21,22)
InChIKeyRVWROJBDEQEMFN-UHFFFAOYSA-N
XLogP3.91
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584615
6-methyl-2-oxo-4-(2,3,6-trichlorophenyl)-1H-pyridine-3-carbonitrile
CID 168586700
4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587298
4-(4-chloro-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585123
4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585362
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-[2-hydroxy-5-(hydroxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586527
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
4-(3,5-dimethyl-4-propoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586687
methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate
CID 168585162
4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585452
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584806

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile (CID 168586371) is 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile is CCc1cc(CC)c(-c2cc(C)[nH]c(=O)c2C#N)c(CC)c1.
What is the InChIKey of 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile?
The InChIKey is RVWROJBDEQEMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-5-13-9-14(6-2)18(15(7-3)10-13)16-8-12(4)21-19(22)17(16)11-20/h8-10H,5-7H2,1-4H3,(H,21,22).
What are the key properties of 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile has a molecular weight of 294.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).