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

C14H16N2O2 — CID 82189666

IUPAC3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one
SMILESCOc1ccccc1-c1cc(C)c(CN)c(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-9-7-12(16-14(17)11(9)8-15)10-5-3-4-6-13(10)18-2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyJDWYRFUZOBGFKD-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.82
Rot. Bonds3

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

3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one (PubChem CID 82189666) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one
PubChem CID82189666
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one
SMILESCOc1ccccc1-c1cc(C)c(CN)c(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-9-7-12(16-14(17)11(9)8-15)10-5-3-4-6-13(10)18-2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyJDWYRFUZOBGFKD-UHFFFAOYSA-N
XLogP1.82
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one (CID 82189666) is 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one is COc1ccccc1-c1cc(C)c(CN)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is JDWYRFUZOBGFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-7-12(16-14(17)11(9)8-15)10-5-3-4-6-13(10)18-2/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one?
3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 82189666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).