5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one

C15H17ClN2O3 — CID 104663834

IUPAC5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2cc(Cl)cc(OC)c2O)ccc1=O
InChIInChI=1S/C15H17ClN2O3/c1-3-18-9-12(4-5-14(18)19)17-8-10-6-11(16)7-13(21-2)15(10)20/h4-7,9,17,20H,3,8H2,1-2H3
InChIKeyUUAFQQRPLXKIPI-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.85
Rot. Bonds5

About 5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one

5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one (PubChem CID 104663834) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one
PubChem CID104663834
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2cc(Cl)cc(OC)c2O)ccc1=O
InChIInChI=1S/C15H17ClN2O3/c1-3-18-9-12(4-5-14(18)19)17-8-10-6-11(16)7-13(21-2)15(10)20/h4-7,9,17,20H,3,8H2,1-2H3
InChIKeyUUAFQQRPLXKIPI-UHFFFAOYSA-N
XLogP2.85
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol
CID 107272138
5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 54864095
2-[(3-bromo-4-fluoroanilino)methyl]-4-chloro-6-methoxyphenol
CID 104775725
4-chloro-2-methoxy-6-[(2,4,5-trichloroanilino)methyl]phenol
CID 104663741
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 60931968
4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
CID 104646482
4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
CID 104645918
4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol
CID 104663758
5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one
CID 54863971
4-chloro-2-[[(2-hydroxy-2-methylbutyl)amino]methyl]-6-methoxyphenol
CID 104646075
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propane-1,2-diol
CID 113438661
4-chloro-2-[(2-ethylsulfinylethylamino)methyl]-6-methoxyphenol
CID 104646346

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one (CID 104663834) is 5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one is CCn1cc(NCc2cc(Cl)cc(OC)c2O)ccc1=O.
What is the InChIKey of 5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one?
The InChIKey is UUAFQQRPLXKIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-3-18-9-12(4-5-14(18)19)17-8-10-6-11(16)7-13(21-2)15(10)20/h4-7,9,17,20H,3,8H2,1-2H3.
What are the key properties of 5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one?
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one has a molecular weight of 308.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 104663834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).