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

C18H21NO3 — CID 82518268

IUPAC2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
SMILESCC(C)Oc1cccc(-c2ccc(C=O)c(=O)n2C(C)C)c1
InChIInChI=1S/C18H21NO3/c1-12(2)19-17(9-8-15(11-20)18(19)21)14-6-5-7-16(10-14)22-13(3)4/h5-13H,1-4H3
InChIKeyDYPBXQZSKMPKHC-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.70
Rot. Bonds5

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

2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde (PubChem CID 82518268) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
PubChem CID82518268
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
SMILESCC(C)Oc1cccc(-c2ccc(C=O)c(=O)n2C(C)C)c1
InChIInChI=1S/C18H21NO3/c1-12(2)19-17(9-8-15(11-20)18(19)21)14-6-5-7-16(10-14)22-13(3)4/h5-13H,1-4H3
InChIKeyDYPBXQZSKMPKHC-UHFFFAOYSA-N
XLogP3.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.70
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

1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518296
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520421
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519001
3-(ethylaminomethyl)-6-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518544
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one
CID 82518367
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
methyl 5-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222769
1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518277
4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
CID 172651049
2-bromo-4-propan-2-yloxybenzaldehyde
CID 104573949
3-chloro-4-(3-propan-2-yloxyphenyl)benzaldehyde
CID 114076469

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde (CID 82518268) is 2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde is CC(C)Oc1cccc(-c2ccc(C=O)c(=O)n2C(C)C)c1.
What is the InChIKey of 2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde?
The InChIKey is DYPBXQZSKMPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12(2)19-17(9-8-15(11-20)18(19)21)14-6-5-7-16(10-14)22-13(3)4/h5-13H,1-4H3.
What are the key properties of 2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde?
2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde has a molecular weight of 299.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 82518268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).