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

C18H24N2O2 — CID 82189672

IUPAC3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one
SMILESCCCCn1c(-c2ccccc2OC)cc(C)c(CN)c1=O
InChIInChI=1S/C18H24N2O2/c1-4-5-10-20-16(11-13(2)15(12-19)18(20)21)14-8-6-7-9-17(14)22-3/h6-9,11H,4-5,10,12,19H2,1-3H3
InChIKeyOJIBELZCAALWJR-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.09
Rot. Bonds6

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

3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one (PubChem CID 82189672) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one
PubChem CID82189672
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one
SMILESCCCCn1c(-c2ccccc2OC)cc(C)c(CN)c1=O
InChIInChI=1S/C18H24N2O2/c1-4-5-10-20-16(11-13(2)15(12-19)18(20)21)14-8-6-7-9-17(14)22-3/h6-9,11H,4-5,10,12,19H2,1-3H3
InChIKeyOJIBELZCAALWJR-UHFFFAOYSA-N
XLogP3.09
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one
CID 82189673
3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82189589
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518948
3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
CID 82189721
3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82189395
3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one
CID 82189666
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one
CID 82189625
3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
CID 82189699
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
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one (CID 82189672) is 3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one is CCCCn1c(-c2ccccc2OC)cc(C)c(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one?
The InChIKey is OJIBELZCAALWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-5-10-20-16(11-13(2)15(12-19)18(20)21)14-8-6-7-9-17(14)22-3/h6-9,11H,4-5,10,12,19H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one?
3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 82189672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).