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

C17H19NO2 — CID 82520438

IUPAC1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
SMILESCCn1c(-c2ccc(C(C)C)cc2)ccc(C=O)c1=O
InChIInChI=1S/C17H19NO2/c1-4-18-16(10-9-15(11-19)17(18)20)14-7-5-13(6-8-14)12(2)3/h5-12H,4H2,1-3H3
InChIKeyNYYIOGDUTWREOL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.47
Rot. Bonds4

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

1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde (PubChem CID 82520438) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
PubChem CID82520438
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
SMILESCCn1c(-c2ccc(C(C)C)cc2)ccc(C=O)c1=O
InChIInChI=1S/C17H19NO2/c1-4-18-16(10-9-15(11-19)17(18)20)14-7-5-13(6-8-14)12(2)3/h5-12H,4H2,1-3H3
InChIKeyNYYIOGDUTWREOL-UHFFFAOYSA-N
XLogP3.47
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.47
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

1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740
2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520421
3-(1-aminoethyl)-1-ethyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520425
1-ethyl-6-(4-propan-2-ylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520429
6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82519233
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
(E)-3-[1-ethyl-6-(4-methylphenyl)-2-oxo-3-pyridinyl]prop-2-enoic acid
CID 82520887
1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde
CID 28811544
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole
CID 82084768
6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519120
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde (CID 82520438) is 1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde is CCn1c(-c2ccc(C(C)C)cc2)ccc(C=O)c1=O.
What is the InChIKey of 1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde?
The InChIKey is NYYIOGDUTWREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-18-16(10-9-15(11-19)17(18)20)14-7-5-13(6-8-14)12(2)3/h5-12H,4H2,1-3H3.
What are the key properties of 1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde?
1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde has a molecular weight of 269.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 82520438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).