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

C24H30N4O4 — CID 71284339

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

5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284339) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 71284339
• Molecular Formula: C24H30N4O4
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.23
• IUPAC Name: 5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccc3c(c2)cc(CN2CCCN(C)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C24H30N4O4/c1-4-18-21(25-23(30)20(22(18)29)24(31)32)15-6-7-19-16(12-15)13-17(27(19)3)14-28-9-5-8-26(2)10-11-28/h6-7,12-13H,4-5,8-11,14H2,1-3H3,(H,31,32)(H2,25,29,30)
• InChIKey: YDRVFICMQFGEDJ-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 101.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284339) is 5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)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-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(CN2CCCN(C)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.

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

The InChIKey is YDRVFICMQFGEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-4-18-21(25-23(30)20(22(18)29)24(31)32)15-6-7-19-16(12-15)13-17(27(19)3)14-28-9-5-8-26(2)10-11-28/h6-7,12-13H,4-5,8-11,14H2,1-3H3,(H,31,32)(H2,25,29,30).

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

5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 438.53 g/mol, XLogP of 2.64, 5 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-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).