1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate

C17H19NO4 — CID 86784896

IUPAC1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCCc1cc(C(=O)OC(C)c2cccc(OC)c2)cc(=O)[nH]1
InChIInChI=1S/C17H19NO4/c1-4-14-8-13(10-16(19)18-14)17(20)22-11(2)12-6-5-7-15(9-12)21-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyOAMWIPMKWRGRQN-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.86
Rot. Bonds5

About 1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate

1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 86784896) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Name1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate
PubChem CID86784896
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCCc1cc(C(=O)OC(C)c2cccc(OC)c2)cc(=O)[nH]1
InChIInChI=1S/C17H19NO4/c1-4-14-8-13(10-16(19)18-14)17(20)22-11(2)12-6-5-7-15(9-12)21-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyOAMWIPMKWRGRQN-UHFFFAOYSA-N
XLogP2.86
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate
CID 97060219
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CID 146474488
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
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[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate
CID 14895430
2-ethyl-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 91764734
5-(3-methoxyphenyl)hexan-2-one
CID 83928904
2-(3-methoxyphenyl)hexan-3-one
CID 83047977
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 50929606
2-(3-methoxyphenyl)-3-oxo-3-(1-phenylethoxy)propanoic acid
CID 129239076
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
4-ethyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623280
5-(3-methoxyphenyl)heptane-2,3-diol
CID 83928989

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of 1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate (CID 86784896) is 1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for 1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for 1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate is CCc1cc(C(=O)OC(C)c2cccc(OC)c2)cc(=O)[nH]1.
What is the InChIKey of 1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is OAMWIPMKWRGRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-4-14-8-13(10-16(19)18-14)17(20)22-11(2)12-6-5-7-15(9-12)21-3/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of 1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 86784896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).