6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

C22H28ClN3O4 — CID 118951030

About 6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 118951030) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is 6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
• PubChem CID: 118951030
• Molecular Formula: C22H28ClN3O4
• Molecular Weight: 433.94 g/mol
• Exact Mass: 433.18
• IUPAC Name: 6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
• SMILES: CCc1c(-c2ccc3c(c2)cc(CN(CC)CC)n3C)[nH]c(=O)c(C(=O)O)c1O.Cl
• InChI: InChI=1S/C22H27N3O4.ClH/c1-5-16-19(23-21(27)18(20(16)26)22(28)29)13-8-9-17-14(10-13)11-15(24(17)4)12-25(6-2)7-3;/h8-11H,5-7,12H2,1-4H3,(H,28,29)(H2,23,26,27);1H
• InChIKey: GTFBWVOLJNQOOP-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 98.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.94
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (CID 118951030) is 6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.

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

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

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

The InChIKey is GTFBWVOLJNQOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4.ClH/c1-5-16-19(23-21(27)18(20(16)26)22(28)29)13-8-9-17-14(10-13)11-15(24(17)4)12-25(6-2)7-3;/h8-11H,5-7,12H2,1-4H3,(H,28,29)(H2,23,26,27);1H.

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

6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 118951030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).