6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde

C17H19NO3 — CID 82517921

IUPAC6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
SMILESCCOc1ccc(-c2ccc(C=O)c(=O)n2C(C)C)cc1
InChIInChI=1S/C17H19NO3/c1-4-21-15-8-5-13(6-9-15)16-10-7-14(11-19)17(20)18(16)12(2)3/h5-12H,4H2,1-3H3
InChIKeyKMOBICZORSNWTR-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.31
Rot. Bonds5

About 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde

6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 82517921) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
PubChem CID82517921
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
SMILESCCOc1ccc(-c2ccc(C=O)c(=O)n2C(C)C)cc1
InChIInChI=1S/C17H19NO3/c1-4-21-15-8-5-13(6-9-15)16-10-7-14(11-19)17(20)18(16)12(2)3/h5-12H,4H2,1-3H3
InChIKeyKMOBICZORSNWTR-UHFFFAOYSA-N
XLogP3.31
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminoethyl)-6-(4-ethoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82517914
2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520421
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
CID 82517919
6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519120
2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518268
2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde
CID 82519718
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one
CID 82518367
1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520438
3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82467100
6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444330

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde (CID 82517921) is 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde is CCOc1ccc(-c2ccc(C=O)c(=O)n2C(C)C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is KMOBICZORSNWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-21-15-8-5-13(6-9-15)16-10-7-14(11-19)17(20)18(16)12(2)3/h5-12H,4H2,1-3H3.
What are the key properties of 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde?
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 285.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 82517921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).