1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid

C22H21NO7 — CID 70812490

IUPAC1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid
SMILESCOc1ccc(COc2cn(OCc3ccc(OC)cc3)c(C(=O)O)cc2=O)cc1
InChIInChI=1S/C22H21NO7/c1-27-17-7-3-15(4-8-17)13-29-21-12-23(19(22(25)26)11-20(21)24)30-14-16-5-9-18(28-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,25,26)
InChIKeyNJSKXZXYOOZUOH-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.77
Rot. Bonds9

About 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid

1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid (PubChem CID 70812490) has the molecular formula C22H21NO7 and a molecular weight of 411.41 g/mol. Its IUPAC name is 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid
PubChem CID70812490
Molecular FormulaC22H21NO7
Molecular Weight411.41 g/mol
Exact Mass411.13
IUPAC Name1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid
SMILESCOc1ccc(COc2cn(OCc3ccc(OC)cc3)c(C(=O)O)cc2=O)cc1
InChIInChI=1S/C22H21NO7/c1-27-17-7-3-15(4-8-17)13-29-21-12-23(19(22(25)26)11-20(21)24)30-14-16-5-9-18(28-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,25,26)
InChIKeyNJSKXZXYOOZUOH-UHFFFAOYSA-N
XLogP2.77
TPSA96.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid (CID 70812490) is 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid is COc1ccc(COc2cn(OCc3ccc(OC)cc3)c(C(=O)O)cc2=O)cc1.
What is the InChIKey of 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid?
The InChIKey is NJSKXZXYOOZUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO7/c1-27-17-7-3-15(4-8-17)13-29-21-12-23(19(22(25)26)11-20(21)24)30-14-16-5-9-18(28-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,25,26).
What are the key properties of 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid?
1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid has a molecular weight of 411.41 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 70812490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).