3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one

C18H24N2O — CID 82189589

IUPAC3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
SMILESCCCCn1c(-c2ccc(C)cc2)cc(C)c(CN)c1=O
InChIInChI=1S/C18H24N2O/c1-4-5-10-20-17(15-8-6-13(2)7-9-15)11-14(3)16(12-19)18(20)21/h6-9,11H,4-5,10,12,19H2,1-3H3
InChIKeyDWMGNSUCPLZOEA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.39
Rot. Bonds5

About 3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one

3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one (PubChem CID 82189589) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
PubChem CID82189589
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
SMILESCCCCn1c(-c2ccc(C)cc2)cc(C)c(CN)c1=O
InChIInChI=1S/C18H24N2O/c1-4-5-10-20-17(15-8-6-13(2)7-9-15)11-14(3)16(12-19)18(20)21/h6-9,11H,4-5,10,12,19H2,1-3H3
InChIKeyDWMGNSUCPLZOEA-UHFFFAOYSA-N
XLogP3.39
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 82189672
3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
CID 82189699
3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one
CID 82189704
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one
CID 82189625
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
3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82189598
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one
CID 82466882
3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one
CID 82525958
1-butyl-6-(4-methoxyphenyl)-3,4-diphenylpyridin-2-one
CID 102087276
3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189716

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one (CID 82189589) is 3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one is CCCCn1c(-c2ccc(C)cc2)cc(C)c(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one?
The InChIKey is DWMGNSUCPLZOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-5-10-20-17(15-8-6-13(2)7-9-15)11-14(3)16(12-19)18(20)21/h6-9,11H,4-5,10,12,19H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one?
3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one is sourced from PubChem (CID 82189589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).