3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one

C18H24N2O2 — CID 82189625

IUPAC3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one
SMILESCOCCn1c(-c2ccc(C)c(C)c2)cc(C)c(CN)c1=O
InChIInChI=1S/C18H24N2O2/c1-12-5-6-15(9-13(12)2)17-10-14(3)16(11-19)18(21)20(17)7-8-22-4/h5-6,9-10H,7-8,11,19H2,1-4H3
InChIKeySVHWCAZMJMPRSC-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.55
Rot. Bonds5

About 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one

3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one (PubChem CID 82189625) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one
PubChem CID82189625
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one
SMILESCOCCn1c(-c2ccc(C)c(C)c2)cc(C)c(CN)c1=O
InChIInChI=1S/C18H24N2O2/c1-12-5-6-15(9-13(12)2)17-10-14(3)16(11-19)18(21)20(17)7-8-22-4/h5-6,9-10H,7-8,11,19H2,1-4H3
InChIKeySVHWCAZMJMPRSC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one (CID 82189625) is 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one is COCCn1c(-c2ccc(C)c(C)c2)cc(C)c(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one?
The InChIKey is SVHWCAZMJMPRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-5-6-15(9-13(12)2)17-10-14(3)16(11-19)18(21)20(17)7-8-22-4/h5-6,9-10H,7-8,11,19H2,1-4H3.
What are the key properties of 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one?
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 82189625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).