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

C17H22N2O2 — CID 82520167

IUPAC6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
SMILESCOCCNCc1ccc(-c2ccc(C)c(C)c2)[nH]c1=O
InChIInChI=1S/C17H22N2O2/c1-12-4-5-14(10-13(12)2)16-7-6-15(17(20)19-16)11-18-8-9-21-3/h4-7,10,18H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyBUNAJCUBXDGKIR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.39
Rot. Bonds6

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

6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one (PubChem CID 82520167) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
PubChem CID82520167
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
SMILESCOCCNCc1ccc(-c2ccc(C)c(C)c2)[nH]c1=O
InChIInChI=1S/C17H22N2O2/c1-12-4-5-14(10-13(12)2)16-7-6-15(17(20)19-16)11-18-8-9-21-3/h4-7,10,18H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyBUNAJCUBXDGKIR-UHFFFAOYSA-N
XLogP2.39
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.39
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-methylphenyl)-1H-pyridin-2-one
CID 82520963
3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518152
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
CID 82520140
6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one
CID 82517620
6-(3,4-dimethylphenyl)-4-[(2-methoxyethylamino)methyl]-2-methylpyridazin-3-one
CID 82443932
3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517371
3-(ethylaminomethyl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518160
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
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
3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
CID 82520675

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one (CID 82520167) is 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one is COCCNCc1ccc(-c2ccc(C)c(C)c2)[nH]c1=O.
What is the InChIKey of 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one?
The InChIKey is BUNAJCUBXDGKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-4-5-14(10-13(12)2)16-7-6-15(17(20)19-16)11-18-8-9-21-3/h4-7,10,18H,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one?
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 82520167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).