3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one

C16H20N2O2 — CID 82520963

IUPAC3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
SMILESCOCCNCc1ccc(-c2ccc(C)cc2)[nH]c1=O
InChIInChI=1S/C16H20N2O2/c1-12-3-5-13(6-4-12)15-8-7-14(16(19)18-15)11-17-9-10-20-2/h3-8,17H,9-11H2,1-2H3,(H,18,19)
InChIKeyYRWLNQMRGMINFM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds6

About 3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one

3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one (PubChem CID 82520963) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
PubChem CID82520963
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
SMILESCOCCNCc1ccc(-c2ccc(C)cc2)[nH]c1=O
InChIInChI=1S/C16H20N2O2/c1-12-3-5-13(6-4-12)15-8-7-14(16(19)18-15)11-17-9-10-20-2/h3-8,17H,9-11H2,1-2H3,(H,18,19)
InChIKeyYRWLNQMRGMINFM-UHFFFAOYSA-N
XLogP2.09
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518152
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
CID 82520167
6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one
CID 82520970
3-(ethylaminomethyl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518160
6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one
CID 82517620
3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
CID 82520675
3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one
CID 82445686
8-ethyl-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 18525062
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
CID 82520140
5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445389
3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one
CID 82517817
3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one
CID 82517876

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one (CID 82520963) is 3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one is COCCNCc1ccc(-c2ccc(C)cc2)[nH]c1=O.
What is the InChIKey of 3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one?
The InChIKey is YRWLNQMRGMINFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-3-5-13(6-4-12)15-8-7-14(16(19)18-15)11-17-9-10-20-2/h3-8,17H,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one?
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82520963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).