2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde

C18H21NO2 — CID 82520421

IUPAC2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
SMILESCC(C)c1ccc(-c2ccc(C=O)c(=O)n2C(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-12(2)14-5-7-15(8-6-14)17-10-9-16(11-20)18(21)19(17)13(3)4/h5-13H,1-4H3
InChIKeyIXXKTKLBKDTKGR-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.03
Rot. Bonds4

About 2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde

2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde (PubChem CID 82520421) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
PubChem CID82520421
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
SMILESCC(C)c1ccc(-c2ccc(C=O)c(=O)n2C(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-12(2)14-5-7-15(8-6-14)17-10-9-16(11-20)18(21)19(17)13(3)4/h5-13H,1-4H3
InChIKeyIXXKTKLBKDTKGR-UHFFFAOYSA-N
XLogP4.03
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519120
1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520438
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde
CID 82519718
2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518268
1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde
CID 28811544
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82519233
1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520385
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one
CID 82466922
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde (CID 82520421) is 2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde is CC(C)c1ccc(-c2ccc(C=O)c(=O)n2C(C)C)cc1.
What is the InChIKey of 2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde?
The InChIKey is IXXKTKLBKDTKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(2)14-5-7-15(8-6-14)17-10-9-16(11-20)18(21)19(17)13(3)4/h5-13H,1-4H3.
What are the key properties of 2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde?
2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde has a molecular weight of 283.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 82520421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).