5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one

C15H18N2O3 — CID 107706094

IUPAC5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC(C)c2cc(O)cc(O)c2)ccc1=O
InChIInChI=1S/C15H18N2O3/c1-3-17-9-12(4-5-15(17)20)16-10(2)11-6-13(18)8-14(19)7-11/h4-10,16,18-19H,3H2,1-2H3
InChIKeyAPGXFXAMYGLEOO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.45
Rot. Bonds4

About 5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one

5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one (PubChem CID 107706094) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
PubChem CID107706094
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC(C)c2cc(O)cc(O)c2)ccc1=O
InChIInChI=1S/C15H18N2O3/c1-3-17-9-12(4-5-15(17)20)16-10(2)11-6-13(18)8-14(19)7-11/h4-10,16,18-19H,3H2,1-2H3
InChIKeyAPGXFXAMYGLEOO-UHFFFAOYSA-N
XLogP2.45
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942779
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942913
5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60943912
1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one
CID 60943542
5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
CID 54863810
5-[1-(2,5-difluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942405
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308
5-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyridin-2-one
CID 54866004
5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one
CID 60944027
5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol
CID 107707113
5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one
CID 60943818
4-[1-(3,5-dihydroxyphenyl)ethylamino]benzoic acid
CID 107705412

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one (CID 107706094) is 5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one is CCn1cc(NC(C)c2cc(O)cc(O)c2)ccc1=O.
What is the InChIKey of 5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one?
The InChIKey is APGXFXAMYGLEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-17-9-12(4-5-15(17)20)16-10(2)11-6-13(18)8-14(19)7-11/h4-10,16,18-19H,3H2,1-2H3.
What are the key properties of 5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one?
5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one has a molecular weight of 274.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 107706094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).