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

C22H19N3O8 — CID 169407104

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

2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407104) has the molecular formula C22H19N3O8 and a molecular weight of 453.41 g/mol. Its IUPAC name is 2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

• Compound Name: 2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
• PubChem CID: 169407104
• Molecular Formula: C22H19N3O8
• Molecular Weight: 453.41 g/mol
• Exact Mass: 453.12
• IUPAC Name: 2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
• SMILES: COc1ccccc1NC(=O)COc1ccccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
• InChI: InChI=1S/C22H19N3O8/c1-32-14-9-5-3-7-12(14)24-15(26)10-33-13-8-4-2-6-11(13)16-17(21(28)29)19(23)25-20(27)18(16)22(30)31/h2-9H,10H2,1H3,(H,24,26)(H,28,29)(H,30,31)(H3,23,25,27)
• InChIKey: ZWSGHTIXSMSWAO-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 181.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.41
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407104) is 2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

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

The canonical SMILES for 2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is COc1ccccc1NC(=O)COc1ccccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O.

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

The InChIKey is ZWSGHTIXSMSWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O8/c1-32-14-9-5-3-7-12(14)24-15(26)10-33-13-8-4-2-6-11(13)16-17(21(28)29)19(23)25-20(27)18(16)22(30)31/h2-9H,10H2,1H3,(H,24,26)(H,28,29)(H,30,31)(H3,23,25,27).

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

2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 453.41 g/mol, XLogP of 2.05, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).