3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one

C16H20N2O3 — CID 82189699

IUPAC3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
SMILESCOc1ccc(-c2cc(C)c(CN)c(=O)n2CCO)cc1
InChIInChI=1S/C16H20N2O3/c1-11-9-15(12-3-5-13(21-2)6-4-12)18(7-8-19)16(20)14(11)10-17/h3-6,9,19H,7-8,10,17H2,1-2H3
InChIKeyCJBHPTUNKIWETN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.28
Rot. Bonds5

About 3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one

3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one (PubChem CID 82189699) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
PubChem CID82189699
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
SMILESCOc1ccc(-c2cc(C)c(CN)c(=O)n2CCO)cc1
InChIInChI=1S/C16H20N2O3/c1-11-9-15(12-3-5-13(21-2)6-4-12)18(7-8-19)16(20)14(11)10-17/h3-6,9,19H,7-8,10,17H2,1-2H3
InChIKeyCJBHPTUNKIWETN-UHFFFAOYSA-N
XLogP1.28
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
CID 82189611
3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
CID 82189637
3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one
CID 82189704
3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82189589
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one
CID 82189625
3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
CID 82189721
3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189716
1-butyl-6-(4-methoxyphenyl)-3,4-diphenylpyridin-2-one
CID 102087276
3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one
CID 82189452
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82189598

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one (CID 82189699) is 3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one is COc1ccc(-c2cc(C)c(CN)c(=O)n2CCO)cc1.
What is the InChIKey of 3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one?
The InChIKey is CJBHPTUNKIWETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-9-15(12-3-5-13(21-2)6-4-12)18(7-8-19)16(20)14(11)10-17/h3-6,9,19H,7-8,10,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one?
3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 82189699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).