6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one

C18H24N2O2 — CID 82520140

IUPAC6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
SMILESCOCCNCc1ccc(-c2ccc(C)c(C)c2)n(C)c1=O
InChIInChI=1S/C18H24N2O2/c1-13-5-6-15(11-14(13)2)17-8-7-16(18(21)20(17)3)12-19-9-10-22-4/h5-8,11,19H,9-10,12H2,1-4H3
InChIKeyRIVDVLHJCXFHEO-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.41
Rot. Bonds6

About 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one

6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one (PubChem CID 82520140) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
PubChem CID82520140
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
SMILESCOCCNCc1ccc(-c2ccc(C)c(C)c2)n(C)c1=O
InChIInChI=1S/C18H24N2O2/c1-13-5-6-15(11-14(13)2)17-8-7-16(18(21)20(17)3)12-19-9-10-22-4/h5-8,11,19H,9-10,12H2,1-4H3
InChIKeyRIVDVLHJCXFHEO-UHFFFAOYSA-N
XLogP2.41
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520145
6-(3,4-dimethylphenyl)-4-[(2-methoxyethylamino)methyl]-2-methylpyridazin-3-one
CID 82443932
3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520136
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
CID 82520167
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080
2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
CID 82517344
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
CID 82520963
3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one
CID 82519366
6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82523455
6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82519945
3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520130

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one?
The IUPAC name of 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one (CID 82520140) is 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one?
The canonical SMILES for 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one is COCCNCc1ccc(-c2ccc(C)c(C)c2)n(C)c1=O.
What is the InChIKey of 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one?
The InChIKey is RIVDVLHJCXFHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-5-6-15(11-14(13)2)17-8-7-16(18(21)20(17)3)12-19-9-10-22-4/h5-8,11,19H,9-10,12H2,1-4H3.
What are the key properties of 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one?
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 82520140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).