3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one

C15H18N2O2 — CID 82517476

IUPAC3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(C)cc1-c1ccc(CN)c(=O)n1C
InChIInChI=1S/C15H18N2O2/c1-10-4-7-14(19-3)12(8-10)13-6-5-11(9-16)15(18)17(13)2/h4-8H,9,16H2,1-3H3
InChIKeyOCOMLIHXVXHOGV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.83
Rot. Bonds3

About 3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one

3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one (PubChem CID 82517476) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
PubChem CID82517476
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(C)cc1-c1ccc(CN)c(=O)n1C
InChIInChI=1S/C15H18N2O2/c1-10-4-7-14(19-3)12(8-10)13-6-5-11(9-16)15(18)17(13)2/h4-8H,9,16H2,1-3H3
InChIKeyOCOMLIHXVXHOGV-UHFFFAOYSA-N
XLogP1.83
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82517397
3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one
CID 82189529
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728
3-amino-1-ethyl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82467176
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
CID 82189721
2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
CID 82520331
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
CID 82189332
3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82189395
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one
CID 82517234

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one (CID 82517476) is 3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one is COc1ccc(C)cc1-c1ccc(CN)c(=O)n1C.
What is the InChIKey of 3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one?
The InChIKey is OCOMLIHXVXHOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-7-14(19-3)12(8-10)13-6-5-11(9-16)15(18)17(13)2/h4-8H,9,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one?
3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82517476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).