1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one

C16H20N2O2 — CID 71543108

IUPAC1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(-c2ccc(OCCN(C)C)cc2)c1
InChIInChI=1S/C16H20N2O2/c1-13-4-9-16(19)18(12-13)14-5-7-15(8-6-14)20-11-10-17(2)3/h4-9,12H,10-11H2,1-3H3
InChIKeyOSDDMNFFPUMPCL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds5

About 1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one

1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one (PubChem CID 71543108) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one
PubChem CID71543108
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(-c2ccc(OCCN(C)C)cc2)c1
InChIInChI=1S/C16H20N2O2/c1-13-4-9-16(19)18(12-13)14-5-7-15(8-6-14)20-11-10-17(2)3/h4-9,12H,10-11H2,1-3H3
InChIKeyOSDDMNFFPUMPCL-UHFFFAOYSA-N
XLogP2.09
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one
CID 131996530
5-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-one
CID 71543198
5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one
CID 71541881
1-(4-hydroxyphenyl)-5-methylpyridin-2-one;hydrofluoride
CID 159420697
N,N-dimethyl-2-(4-morpholin-4-ylphenoxy)ethanamine
CID 82538142
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
CID 3046960
6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 46190225
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
CID 118464703
8-[2-(dimethylamino)ethoxy]-1,7-dimethyl-1,6-naphthyridin-2-one
CID 175990325

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one (CID 71543108) is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one is Cc1ccc(=O)n(-c2ccc(OCCN(C)C)cc2)c1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one?
The InChIKey is OSDDMNFFPUMPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13-4-9-16(19)18(12-13)14-5-7-15(8-6-14)20-11-10-17(2)3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one?
1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one is sourced from PubChem (CID 71543108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).