2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C24H24N2O8 — CID 169405990

About 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405990) has the molecular formula C24H24N2O8 and a molecular weight of 468.46 g/mol. Its IUPAC name is 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

• Compound Name: 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
• PubChem CID: 169405990
• Molecular Formula: C24H24N2O8
• Molecular Weight: 468.46 g/mol
• Exact Mass: 468.15
• IUPAC Name: 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
• SMILES: CCOc1ccc(COc2ccc(-c3c(C(=O)O)c(N)[nH]c(=O)c3C(=O)O)cc2)cc1OCC
• InChI: InChI=1S/C24H24N2O8/c1-3-32-16-10-5-13(11-17(16)33-4-2)12-34-15-8-6-14(7-9-15)18-19(23(28)29)21(25)26-22(27)20(18)24(30)31/h5-11H,3-4,12H2,1-2H3,(H,28,29)(H,30,31)(H3,25,26,27)
• InChIKey: WKTWYFHHXRQZDI-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 161.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.46
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?

The IUPAC name of 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405990) is 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

What is the SMILES notation for 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?

The canonical SMILES for 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is CCOc1ccc(COc2ccc(-c3c(C(=O)O)c(N)[nH]c(=O)c3C(=O)O)cc2)cc1OCC.

What is the InChIKey of 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?

The InChIKey is WKTWYFHHXRQZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O8/c1-3-32-16-10-5-13(11-17(16)33-4-2)12-34-15-8-6-14(7-9-15)18-19(23(28)29)21(25)26-22(27)20(18)24(30)31/h5-11H,3-4,12H2,1-2H3,(H,28,29)(H,30,31)(H3,25,26,27).

What are the key properties of 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?

2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 468.46 g/mol, XLogP of 3.40, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).