N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide

C30H25FN4O2 — CID 18833261

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18833261) has the molecular formula C30H25FN4O2 and a molecular weight of 492.55 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

• Compound Name: N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
• PubChem CID: 18833261
• Molecular Formula: C30H25FN4O2
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.20
• IUPAC Name: N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
• SMILES: CCN1C(=O)c2cccc3c(NC(=O)CCCc4c(-c5ccccn5)[nH]c5ccc(F)cc45)ccc1c23
• InChI: InChI=1S/C30H25FN4O2/c1-2-35-26-15-14-23(20-8-5-9-21(28(20)26)30(35)37)33-27(36)11-6-7-19-22-17-18(31)12-13-24(22)34-29(19)25-10-3-4-16-32-25/h3-5,8-10,12-17,34H,2,6-7,11H2,1H3,(H,33,36)
• InChIKey: SKLCUXJXUPTEMQ-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18833261) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is CCN1C(=O)c2cccc3c(NC(=O)CCCc4c(-c5ccccn5)[nH]c5ccc(F)cc45)ccc1c23.

What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

The InChIKey is SKLCUXJXUPTEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O2/c1-2-35-26-15-14-23(20-8-5-9-21(28(20)26)30(35)37)33-27(36)11-6-7-19-22-17-18(31)12-13-24(22)34-29(19)25-10-3-4-16-32-25/h3-5,8-10,12-17,34H,2,6-7,11H2,1H3,(H,33,36).

What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 492.55 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18833261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).