3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one

C18H24N2O2 — CID 82520184

IUPAC3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1c(-c2ccc(C)cc2C)ccc(C(C)N)c1=O
InChIInChI=1S/C18H24N2O2/c1-12-5-6-15(13(2)11-12)17-8-7-16(14(3)19)18(21)20(17)9-10-22-4/h5-8,11,14H,9-10,19H2,1-4H3
InChIKeyCVRMUVRVGIVAED-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.80
Rot. Bonds5

About 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one

3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 82520184) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one
PubChem CID82520184
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1c(-c2ccc(C)cc2C)ccc(C(C)N)c1=O
InChIInChI=1S/C18H24N2O2/c1-12-5-6-15(13(2)11-12)17-8-7-16(14(3)19)18(21)20(17)9-10-22-4/h5-8,11,14H,9-10,19H2,1-4H3
InChIKeyCVRMUVRVGIVAED-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
CID 82520282
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
CID 82189332
6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82520206
4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447529
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
4-amino-6-(2,4-dimethylphenyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82467643
3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one
CID 82517220
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
CID 82189611
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
3-amino-6-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82467142
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
CID 161221111

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one (CID 82520184) is 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one is COCCn1c(-c2ccc(C)cc2C)ccc(C(C)N)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is CVRMUVRVGIVAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-5-6-15(13(2)11-12)17-8-7-16(14(3)19)18(21)20(17)9-10-22-4/h5-8,11,14H,9-10,19H2,1-4H3.
What are the key properties of 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one?
3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 82520184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).