5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one

C15H18N2O2 — CID 54866082

IUPAC5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one
SMILESCCOc1cccc(CNc2ccc(=O)n(C)c2)c1
InChIInChI=1S/C15H18N2O2/c1-3-19-14-6-4-5-12(9-14)10-16-13-7-8-15(18)17(2)11-13/h4-9,11,16H,3,10H2,1-2H3
InChIKeySTYWKAGOYLNNLM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.40
Rot. Bonds5

About 5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one

5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one (PubChem CID 54866082) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one
PubChem CID54866082
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one
SMILESCCOc1cccc(CNc2ccc(=O)n(C)c2)c1
InChIInChI=1S/C15H18N2O2/c1-3-19-14-6-4-5-12(9-14)10-16-13-7-8-15(18)17(2)11-13/h4-9,11,16H,3,10H2,1-2H3
InChIKeySTYWKAGOYLNNLM-UHFFFAOYSA-N
XLogP2.40
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
2-[4-[(3-ethoxyphenyl)methylamino]phenoxy]acetonitrile
CID 60871975
N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine
CID 60964362
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
3-[(3-ethoxyanilino)methyl]aniline
CID 83961381
2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60873892
4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126125748
4-chloro-N-[(3-ethoxyphenyl)methyl]-3-nitroaniline
CID 60872179
2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874084
2-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 60874267

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one (CID 54866082) is 5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one is CCOc1cccc(CNc2ccc(=O)n(C)c2)c1.
What is the InChIKey of 5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one?
The InChIKey is STYWKAGOYLNNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-19-14-6-4-5-12(9-14)10-16-13-7-8-15(18)17(2)11-13/h4-9,11,16H,3,10H2,1-2H3.
What are the key properties of 5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one?
5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 54866082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).