5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C22H27N3O5 — CID 71285097

About 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71285097) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 71285097
• Molecular Formula: C22H27N3O5
• Molecular Weight: 413.47 g/mol
• Exact Mass: 413.20
• IUPAC Name: 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccc3c(c2)cc(CN(C)CCOC)n3C)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C22H27N3O5/c1-5-16-19(23-21(27)18(20(16)26)22(28)29)13-6-7-17-14(10-13)11-15(25(17)3)12-24(2)8-9-30-4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,28,29)(H2,23,26,27)
• InChIKey: GTJQRWVXLSJFMS-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 107.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.47
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71285097) is 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(CN(C)CCOC)n3C)[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is GTJQRWVXLSJFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-5-16-19(23-21(27)18(20(16)26)22(28)29)13-6-7-17-14(10-13)11-15(25(17)3)12-24(2)8-9-30-4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,28,29)(H2,23,26,27).

What are the key properties of 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 413.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71285097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).