5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C24H24N4O4 — CID 71285240

About 5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71285240) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 71285240
• Molecular Formula: C24H24N4O4
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.18
• IUPAC Name: 5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccc3c(c2)cc(CNCc2ccncc2)n3C)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C24H24N4O4/c1-3-18-21(27-23(30)20(22(18)29)24(31)32)15-4-5-19-16(10-15)11-17(28(19)2)13-26-12-14-6-8-25-9-7-14/h4-11,26H,3,12-13H2,1-2H3,(H,31,32)(H2,27,29,30)
• InChIKey: QHCJPTYPPATXAT-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 120.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71285240) is 5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

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

The canonical SMILES for 5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(CNCc2ccncc2)n3C)[nH]c(=O)c(C(=O)O)c1O.

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

The InChIKey is QHCJPTYPPATXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-3-18-21(27-23(30)20(22(18)29)24(31)32)15-4-5-19-16(10-15)11-17(28(19)2)13-26-12-14-6-8-25-9-7-14/h4-11,26H,3,12-13H2,1-2H3,(H,31,32)(H2,27,29,30).

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

5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71285240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).