1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde

C17H19NO3 — CID 82518930

IUPAC1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde
SMILESCCC(C)n1c(-c2ccccc2OC)ccc(C=O)c1=O
InChIInChI=1S/C17H19NO3/c1-4-12(2)18-15(10-9-13(11-19)17(18)20)14-7-5-6-8-16(14)21-3/h5-12H,4H2,1-3H3
InChIKeyPFJLEFUSKDPHAZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.31
Rot. Bonds5

About 1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde

1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde (PubChem CID 82518930) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde
PubChem CID82518930
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde
SMILESCCC(C)n1c(-c2ccccc2OC)ccc(C=O)c1=O
InChIInChI=1S/C17H19NO3/c1-4-12(2)18-15(10-9-13(11-19)17(18)20)14-7-5-6-8-16(14)21-3/h5-12H,4H2,1-3H3
InChIKeyPFJLEFUSKDPHAZ-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'}

Analyze 1-butan-2-yl-6-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519001
6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde
CID 82447378
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82517397
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride
CID 82518988
3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82518942
6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
CID 82517213
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
(2S)-3-[(2R)-butan-2-yl]-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,2-dihydroquinazolin-4-one
CID 9007975

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde (CID 82518930) is 1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde is CCC(C)n1c(-c2ccccc2OC)ccc(C=O)c1=O.
What is the InChIKey of 1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde?
The InChIKey is PFJLEFUSKDPHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-12(2)18-15(10-9-13(11-19)17(18)20)14-7-5-6-8-16(14)21-3/h5-12H,4H2,1-3H3.
What are the key properties of 1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde?
1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-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 1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82518930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).