1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one

C16H20N2O3 — CID 82422073

IUPAC1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
SMILESCNCc1cn(-c2ccc(OC)cc2OC)c(C)cc1=O
InChIInChI=1S/C16H20N2O3/c1-11-7-15(19)12(9-17-2)10-18(11)14-6-5-13(20-3)8-16(14)21-4/h5-8,10,17H,9H2,1-4H3
InChIKeyKTQFKECXAGAYSK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.88
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one

1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one (PubChem CID 82422073) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
PubChem CID82422073
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
SMILESCNCc1cn(-c2ccc(OC)cc2OC)c(C)cc1=O
InChIInChI=1S/C16H20N2O3/c1-11-7-15(19)12(9-17-2)10-18(11)14-6-5-13(20-3)8-16(14)21-4/h5-8,10,17H,9H2,1-4H3
InChIKeyKTQFKECXAGAYSK-UHFFFAOYSA-N
XLogP1.88
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82422070
1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420708
1-(4-ethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82420006
2-methyl-5-(methylaminomethyl)-1-phenylpyridin-4-one
CID 82419740
1-(2,5-dimethoxyphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82420725
1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde
CID 82420706
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 82420995
1-(3,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 84666309
3-(2,4-dimethoxyphenyl)-1H-imidazol-2-one
CID 103125116
1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
CID 82302613
1-(2,4-dimethoxyphenyl)-3-methylindole
CID 151820555

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one (CID 82422073) is 1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one is CNCc1cn(-c2ccc(OC)cc2OC)c(C)cc1=O.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one?
The InChIKey is KTQFKECXAGAYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-7-15(19)12(9-17-2)10-18(11)14-6-5-13(20-3)8-16(14)21-4/h5-8,10,17H,9H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one?
1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one has a molecular weight of 288.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one is sourced from PubChem (CID 82422073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).