6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde

C19H23NO2 — CID 82520206

IUPAC6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)c(=O)n2CCC(C)C)c(C)c1
InChIInChI=1S/C19H23NO2/c1-13(2)9-10-20-18(8-6-16(12-21)19(20)22)17-7-5-14(3)11-15(17)4/h5-8,11-13H,9-10H2,1-4H3
InChIKeyPJRWVEKENJCKHP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.99
Rot. Bonds5

About 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde

6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde (PubChem CID 82520206) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
PubChem CID82520206
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)c(=O)n2CCC(C)C)c(C)c1
InChIInChI=1S/C19H23NO2/c1-13(2)9-10-20-18(8-6-16(12-21)19(20)22)17-7-5-14(3)11-15(17)4/h5-8,11-13H,9-10H2,1-4H3
InChIKeyPJRWVEKENJCKHP-UHFFFAOYSA-N
XLogP3.99
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde 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

6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82519233
3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82520184
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
CID 82189332
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
CID 82520275
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde
CID 82444815
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde
CID 83821453
2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
CID 82520331

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde (CID 82520206) is 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde is Cc1ccc(-c2ccc(C=O)c(=O)n2CCC(C)C)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde?
The InChIKey is PJRWVEKENJCKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13(2)9-10-20-18(8-6-16(12-21)19(20)22)17-7-5-14(3)11-15(17)4/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde?
6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde has a molecular weight of 297.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82520206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).