5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium

C23H32N2O6 — CID 137183787

IUPAC5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium
SMILESCCOC(=O)c1cc(C(C)=O)c(=O)n(-c2ccc(OC)cc2)c1[O-].CC[NH+](CC)CC
InChIInChI=1S/C17H17NO6.C6H15N/c1-4-24-17(22)14-9-13(10(2)19)15(20)18(16(14)21)11-5-7-12(23-3)8-6-11;1-4-7(5-2)6-3/h5-9,21H,4H2,1-3H3;4-6H2,1-3H3
InChIKeyMGIVNVLMMPUVEK-UHFFFAOYSA-N
MW432.52 g/mol
LogP1.23
Rot. Bonds8

About 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium

5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium (PubChem CID 137183787) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium.

Molecular Properties

Compound Name5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium
PubChem CID137183787
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium
SMILESCCOC(=O)c1cc(C(C)=O)c(=O)n(-c2ccc(OC)cc2)c1[O-].CC[NH+](CC)CC
InChIInChI=1S/C17H17NO6.C6H15N/c1-4-24-17(22)14-9-13(10(2)19)15(20)18(16(14)21)11-5-7-12(23-3)8-6-11;1-4-7(5-2)6-3/h5-9,21H,4H2,1-3H3;4-6H2,1-3H3
InChIKeyMGIVNVLMMPUVEK-UHFFFAOYSA-N
XLogP1.23
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
CID 2997731
ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 705131
ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate
CID 15466903
ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
CID 71576576
ethyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 741661
ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
CID 71599545
ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate
CID 142416598
ethyl 2-benzoyl-1-(4-methoxyphenyl)-5-phenylpyrrole-3-carboxylate
CID 139181936
5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one
CID 82421340
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
ethyl 5-methoxy-2-(2-oxopropyl)benzoate
CID 134645022

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium?
The IUPAC name of 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium (CID 137183787) is 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium.
What is the SMILES notation for 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium?
The canonical SMILES for 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium is CCOC(=O)c1cc(C(C)=O)c(=O)n(-c2ccc(OC)cc2)c1[O-].CC[NH+](CC)CC.
What is the InChIKey of 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium?
The InChIKey is MGIVNVLMMPUVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6.C6H15N/c1-4-24-17(22)14-9-13(10(2)19)15(20)18(16(14)21)11-5-7-12(23-3)8-6-11;1-4-7(5-2)6-3/h5-9,21H,4H2,1-3H3;4-6H2,1-3H3.
What are the key properties of 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium?
5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium has a molecular weight of 432.52 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium is sourced from PubChem (CID 137183787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).