1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde

C15H15NO4 — CID 82420706

IUPAC1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde
SMILESCOc1ccc(OC)c(-n2cc(C=O)c(=O)cc2C)c1
InChIInChI=1S/C15H15NO4/c1-10-6-14(18)11(9-17)8-16(10)13-7-12(19-2)4-5-15(13)20-3/h4-9H,1-3H3
InChIKeyUUAMZOZVYJYNAT-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.98
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde

1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde (PubChem CID 82420706) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde
PubChem CID82420706
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde
SMILESCOc1ccc(OC)c(-n2cc(C=O)c(=O)cc2C)c1
InChIInChI=1S/C15H15NO4/c1-10-6-14(18)11(9-17)8-16(10)13-7-12(19-2)4-5-15(13)20-3/h4-9H,1-3H3
InChIKeyUUAMZOZVYJYNAT-UHFFFAOYSA-N
XLogP1.98
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420708
1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82422070
1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82422073
1-(2,5-dimethoxyphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420726
2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid
CID 82420521
1-(2,5-dimethoxyphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82420725
2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile
CID 82420730
1-(2,5-dimethoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79875212
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
4-(2,4-dimethoxyphenoxy)benzaldehyde
CID 118874779

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde (CID 82420706) is 1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde is COc1ccc(OC)c(-n2cc(C=O)c(=O)cc2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde?
The InChIKey is UUAMZOZVYJYNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-6-14(18)11(9-17)8-16(10)13-7-12(19-2)4-5-15(13)20-3/h4-9H,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde?
1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde has a molecular weight of 273.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82420706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).