3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one

C18H24N2O2 — CID 82189673

IUPAC3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one
SMILESCOc1ccccc1-c1cc(C)c(CN)c(=O)n1CC(C)C
InChIInChI=1S/C18H24N2O2/c1-12(2)11-20-16(9-13(3)15(10-19)18(20)21)14-7-5-6-8-17(14)22-4/h5-9,12H,10-11,19H2,1-4H3
InChIKeyYDHZJAQMDROPNS-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.95
Rot. Bonds5

About 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one

3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one (PubChem CID 82189673) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one
PubChem CID82189673
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one
SMILESCOc1ccccc1-c1cc(C)c(CN)c(=O)n1CC(C)C
InChIInChI=1S/C18H24N2O2/c1-12(2)11-20-16(9-13(3)15(10-19)18(20)21)14-7-5-6-8-17(14)22-4/h5-9,12H,10-11,19H2,1-4H3
InChIKeyYDHZJAQMDROPNS-UHFFFAOYSA-N
XLogP2.95
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 82189672
3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82518942
3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
CID 82189721
3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one
CID 82189666
3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82467015
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one
CID 82189625
3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110581599
3-anilino-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597852
3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
CID 82189699
3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82189395
3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
CID 82189637
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
CID 82189611

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one (CID 82189673) is 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one is COc1ccccc1-c1cc(C)c(CN)c(=O)n1CC(C)C.
What is the InChIKey of 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is YDHZJAQMDROPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)11-20-16(9-13(3)15(10-19)18(20)21)14-7-5-6-8-17(14)22-4/h5-9,12H,10-11,19H2,1-4H3.
What are the key properties of 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one?
3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 82189673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).