2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate

C15H15NO5 — CID 3658733

IUPAC2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate
SMILESCOc1ccc(OCCOC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C15H15NO5/c1-19-11-4-6-12(7-5-11)20-9-10-21-15(18)13-3-2-8-16-14(13)17/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyXUXBGVXCTNEFQY-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.62
Rot. Bonds6

About 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate

2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 3658733) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate
PubChem CID3658733
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate
SMILESCOc1ccc(OCCOC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C15H15NO5/c1-19-11-4-6-12(7-5-11)20-9-10-21-15(18)13-3-2-8-16-14(13)17/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyXUXBGVXCTNEFQY-UHFFFAOYSA-N
XLogP1.62
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2346594
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate
CID 56824771
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431955
3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one
CID 82056039
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786153
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786151
[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2555089
2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate
CID 7787466
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 110691003
2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
CID 29183554
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 47067363

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate (CID 3658733) is 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate is COc1ccc(OCCOC(=O)c2ccc[nH]c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is XUXBGVXCTNEFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-11-4-6-12(7-5-11)20-9-10-21-15(18)13-3-2-8-16-14(13)17/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate?
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 3658733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).