3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one

C17H23N3O2 — CID 82189452

IUPAC3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-c2ccc(CN)c(=O)n2CCN(C)C)cc1
InChIInChI=1S/C17H23N3O2/c1-19(2)10-11-20-16(9-6-14(12-18)17(20)21)13-4-7-15(22-3)8-5-13/h4-9H,10-12,18H2,1-3H3
InChIKeyLPWMDJUVKXCHRL-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.54
Rot. Bonds6

About 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one

3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one (PubChem CID 82189452) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one
PubChem CID82189452
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-c2ccc(CN)c(=O)n2CCN(C)C)cc1
InChIInChI=1S/C17H23N3O2/c1-19(2)10-11-20-16(9-6-14(12-18)17(20)21)13-4-7-15(22-3)8-5-13/h4-9H,10-12,18H2,1-3H3
InChIKeyLPWMDJUVKXCHRL-UHFFFAOYSA-N
XLogP1.54
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one
CID 82519188
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
CID 82189699
3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one
CID 82518062
1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile
CID 82099044
3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82189395
3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82518112
2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole
CID 82081578

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one (CID 82189452) is 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one is COc1ccc(-c2ccc(CN)c(=O)n2CCN(C)C)cc1.
What is the InChIKey of 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one?
The InChIKey is LPWMDJUVKXCHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19(2)10-11-20-16(9-6-14(12-18)17(20)21)13-4-7-15(22-3)8-5-13/h4-9H,10-12,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one?
3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 82189452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).