1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one

C17H22N2O2 — CID 82420007

IUPAC1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
SMILESCCNCc1cn(-c2ccc(OCC)cc2)c(C)cc1=O
InChIInChI=1S/C17H22N2O2/c1-4-18-11-14-12-19(13(3)10-17(14)20)15-6-8-16(9-7-15)21-5-2/h6-10,12,18H,4-5,11H2,1-3H3
InChIKeyIYHQMSYTGFSHDI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds6

About 1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one

1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one (PubChem CID 82420007) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
PubChem CID82420007
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
SMILESCCNCc1cn(-c2ccc(OCC)cc2)c(C)cc1=O
InChIInChI=1S/C17H22N2O2/c1-4-18-11-14-12-19(13(3)10-17(14)20)15-6-8-16(9-7-15)21-5-2/h6-10,12,18H,4-5,11H2,1-3H3
InChIKeyIYHQMSYTGFSHDI-UHFFFAOYSA-N
XLogP2.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82420006
5-(ethylaminomethyl)-2-methyl-1-phenylpyridin-4-one
CID 82419741
5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
CID 82420020
1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420708
1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
CID 82421084
1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
CID 82421850
5-(butylaminomethyl)-1-(3,4-dimethylphenyl)-2-methylpyridin-4-one
CID 82421165
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
5-(chloromethyl)-1-(4-fluorophenyl)-2-methylpyridin-4-one
CID 82421856
1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 82420049
1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one
CID 82420042
5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 82420995

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one?
The IUPAC name of 1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one (CID 82420007) is 1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one is CCNCc1cn(-c2ccc(OCC)cc2)c(C)cc1=O.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one?
The InChIKey is IYHQMSYTGFSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-18-11-14-12-19(13(3)10-17(14)20)15-6-8-16(9-7-15)21-5-2/h6-10,12,18H,4-5,11H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one?
1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one has a molecular weight of 286.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82420007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).