5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one

C15H18N2O4 — CID 60931968

IUPAC5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one
SMILESCOc1cc(CNc2ccc(=O)n(C)c2)cc(OC)c1O
InChIInChI=1S/C15H18N2O4/c1-17-9-11(4-5-14(17)18)16-8-10-6-12(20-2)15(19)13(7-10)21-3/h4-7,9,16,19H,8H2,1-3H3
InChIKeyJXWIJMXJNJIYSY-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.72
Rot. Bonds5

About 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one

5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one (PubChem CID 60931968) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one
PubChem CID60931968
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one
SMILESCOc1cc(CNc2ccc(=O)n(C)c2)cc(OC)c1O
InChIInChI=1S/C15H18N2O4/c1-17-9-11(4-5-14(17)18)16-8-10-6-12(20-2)15(19)13(7-10)21-3/h4-7,9,16,19H,8H2,1-3H3
InChIKeyJXWIJMXJNJIYSY-UHFFFAOYSA-N
XLogP1.72
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866090
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 104815922
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866082
4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
CID 28615702
4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 19625872
5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 112606610
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 104663834
5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one
CID 60931040
2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83454430
5-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-1-methylpyridin-2-one
CID 60932086

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one (CID 60931968) is 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one is COc1cc(CNc2ccc(=O)n(C)c2)cc(OC)c1O.
What is the InChIKey of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one?
The InChIKey is JXWIJMXJNJIYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17-9-11(4-5-14(17)18)16-8-10-6-12(20-2)15(19)13(7-10)21-3/h4-7,9,16,19H,8H2,1-3H3.
What are the key properties of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one?
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 60931968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).