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

C16H20N2O3 — CID 82518152

IUPAC3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
SMILESCOCCNCc1ccc(-c2ccc(OC)cc2)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-20-10-9-17-11-13-5-8-15(18-16(13)19)12-3-6-14(21-2)7-4-12/h3-8,17H,9-11H2,1-2H3,(H,18,19)
InChIKeyNZOSNKUQWCNJPV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.79
Rot. Bonds7

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

3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one (PubChem CID 82518152) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
PubChem CID82518152
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
SMILESCOCCNCc1ccc(-c2ccc(OC)cc2)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-20-10-9-17-11-13-5-8-15(18-16(13)19)12-3-6-14(21-2)7-4-12/h3-8,17H,9-11H2,1-2H3,(H,18,19)
InChIKeyNZOSNKUQWCNJPV-UHFFFAOYSA-N
XLogP1.79
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(ethylaminomethyl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518160
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
CID 82520167
6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one
CID 82517620
6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 3215146
3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one
CID 82517817
3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one
CID 82517876
6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82518162
3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
CID 82520675
2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855
3-amino-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82098987
8-ethyl-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 18525062

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one (CID 82518152) is 3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one is COCCNCc1ccc(-c2ccc(OC)cc2)[nH]c1=O.
What is the InChIKey of 3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one?
The InChIKey is NZOSNKUQWCNJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-10-9-17-11-13-5-8-15(18-16(13)19)12-3-6-14(21-2)7-4-12/h3-8,17H,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one?
3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82518152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).