3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one

C16H20N2O3 — CID 82189721

IUPAC3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
SMILESCOc1ccc(OC)c(-c2cc(C)c(CN)c(=O)n2C)c1
InChIInChI=1S/C16H20N2O3/c1-10-7-14(18(2)16(19)13(10)9-17)12-8-11(20-3)5-6-15(12)21-4/h5-8H,9,17H2,1-4H3
InChIKeyHSHPPCKVYJRKHY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.84
Rot. Bonds4

About 3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one

3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one (PubChem CID 82189721) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
PubChem CID82189721
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
SMILESCOc1ccc(OC)c(-c2cc(C)c(CN)c(=O)n2C)c1
InChIInChI=1S/C16H20N2O3/c1-10-7-14(18(2)16(19)13(10)9-17)12-8-11(20-3)5-6-15(12)21-4/h5-8H,9,17H2,1-4H3
InChIKeyHSHPPCKVYJRKHY-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189716
3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
CID 82189699
3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 82189672
3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
CID 84626906
3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
CID 82517476
3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one
CID 82189673
6-(4-methoxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 159172833
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
CID 84638829
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
[5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine
CID 106887065
[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
CID 84606680
2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 11038757

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one (CID 82189721) is 3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one is COc1ccc(OC)c(-c2cc(C)c(CN)c(=O)n2C)c1.
What is the InChIKey of 3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one?
The InChIKey is HSHPPCKVYJRKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-7-14(18(2)16(19)13(10)9-17)12-8-11(20-3)5-6-15(12)21-4/h5-8H,9,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one?
3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 82189721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).