5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C21H22N2O4 — CID 162021877

About 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 162021877) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 162021877
• Molecular Formula: C21H22N2O4
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.16
• IUPAC Name: 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccc3c(c2)CC2=C3CN(C)CC2)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C21H22N2O4/c1-3-14-18(22-20(25)17(19(14)24)21(26)27)12-4-5-15-13(9-12)8-11-6-7-23(2)10-16(11)15/h4-5,9H,3,6-8,10H2,1-2H3,(H,26,27)(H2,22,24,25)
• InChIKey: UUOZOIJUGJSMPN-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 93.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 162021877) is 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)CC2=C3CN(C)CC2)[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is UUOZOIJUGJSMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-14-18(22-20(25)17(19(14)24)21(26)27)12-4-5-15-13(9-12)8-11-6-7-23(2)10-16(11)15/h4-5,9H,3,6-8,10H2,1-2H3,(H,26,27)(H2,22,24,25).

What are the key properties of 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 162021877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).