1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one

C17H22N2O3 — CID 82420708

IUPAC1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
SMILESCCNCc1cn(-c2cc(OC)ccc2OC)c(C)cc1=O
InChIInChI=1S/C17H22N2O3/c1-5-18-10-13-11-19(12(2)8-16(13)20)15-9-14(21-3)6-7-17(15)22-4/h6-9,11,18H,5,10H2,1-4H3
InChIKeyMLSNLOGTIVIRBZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.27
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one

1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one (PubChem CID 82420708) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
PubChem CID82420708
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
SMILESCCNCc1cn(-c2cc(OC)ccc2OC)c(C)cc1=O
InChIInChI=1S/C17H22N2O3/c1-5-18-10-13-11-19(12(2)8-16(13)20)15-9-14(21-3)6-7-17(15)22-4/h6-9,11,18H,5,10H2,1-4H3
InChIKeyMLSNLOGTIVIRBZ-UHFFFAOYSA-N
XLogP2.27
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82422073
1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde
CID 82420706
1-(2,5-dimethoxyphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420726
1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82422070
1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420007
5-(ethylaminomethyl)-2-methyl-1-phenylpyridin-4-one
CID 82419741
2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420696
1-(2,5-dimethoxyphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82420725
5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 82420995
N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
CID 82553016
1-(4-ethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82420006
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one (CID 82420708) is 1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one is CCNCc1cn(-c2cc(OC)ccc2OC)c(C)cc1=O.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one?
The InChIKey is MLSNLOGTIVIRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-18-10-13-11-19(12(2)8-16(13)20)15-9-14(21-3)6-7-17(15)22-4/h6-9,11,18H,5,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one?
1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one has a molecular weight of 302.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82420708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).