3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one

C17H22N2O2 — CID 82189637

IUPAC3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1ccc(C)c(-c2cc(C)c(CN)c(=O)n2CCO)c1
InChIInChI=1S/C17H22N2O2/c1-11-4-5-12(2)14(8-11)16-9-13(3)15(10-18)17(21)19(16)6-7-20/h4-5,8-9,20H,6-7,10,18H2,1-3H3
InChIKeyRTJHBFBVHRJECQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.89
Rot. Bonds4

About 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one

3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one (PubChem CID 82189637) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
PubChem CID82189637
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1ccc(C)c(-c2cc(C)c(CN)c(=O)n2CCO)c1
InChIInChI=1S/C17H22N2O2/c1-11-4-5-12(2)14(8-11)16-9-13(3)15(10-18)17(21)19(16)6-7-20/h4-5,8-9,20H,6-7,10,18H2,1-3H3
InChIKeyRTJHBFBVHRJECQ-UHFFFAOYSA-N
XLogP1.89
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
CID 82189611
3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
CID 82189699
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
CID 82189332
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)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 82189672
5-(2,5-dimethylphenyl)-2-methyl-1-propylpyrrole-3-carboxylic acid
CID 82093262
6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one
CID 82519868
4-[4-(2,5-dimethylphenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43243704
3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one
CID 82519908
6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide
CID 82519941
3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one
CID 82189673

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one (CID 82189637) is 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one is Cc1ccc(C)c(-c2cc(C)c(CN)c(=O)n2CCO)c1.
What is the InChIKey of 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The InChIKey is RTJHBFBVHRJECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-4-5-12(2)14(8-11)16-9-13(3)15(10-18)17(21)19(16)6-7-20/h4-5,8-9,20H,6-7,10,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 82189637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).