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

C17H19N3O6 — CID 169406692

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

2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406692) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

• Compound Name: 2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
• PubChem CID: 169406692
• Molecular Formula: C17H19N3O6
• Molecular Weight: 361.35 g/mol
• Exact Mass: 361.13
• IUPAC Name: 2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
• SMILES: CN(C)CCOc1ccccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
• InChI: InChI=1S/C17H19N3O6/c1-20(2)7-8-26-10-6-4-3-5-9(10)11-12(16(22)23)14(18)19-15(21)13(11)17(24)25/h3-6H,7-8H2,1-2H3,(H,22,23)(H,24,25)(H3,18,19,21)
• InChIKey: VDRAQWTZWDIGMW-UHFFFAOYSA-N
• XLogP: 0.96
• TPSA: 145.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.35
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169406692) is 2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

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

The canonical SMILES for 2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is CN(C)CCOc1ccccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O.

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

The InChIKey is VDRAQWTZWDIGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-20(2)7-8-26-10-6-4-3-5-9(10)11-12(16(22)23)14(18)19-15(21)13(11)17(24)25/h3-6H,7-8H2,1-2H3,(H,22,23)(H,24,25)(H3,18,19,21).

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

2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 361.35 g/mol, XLogP of 0.96, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).