6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide

C26H36N4O4 — CID 167497339

About 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide

6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 167497339) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide.

Molecular Properties

• Compound Name: 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide
• PubChem CID: 167497339
• Molecular Formula: C26H36N4O4
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.27
• IUPAC Name: 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide
• SMILES: CNC(=O)n1ccc2cc(Oc3ccnc(NC(C)(C)CC(C)(C)C)c3)c(OCCOC)cc21
• InChI: InChI=1S/C26H36N4O4/c1-25(2,3)17-26(4,5)29-23-15-19(8-10-28-23)34-22-14-18-9-11-30(24(31)27-6)20(18)16-21(22)33-13-12-32-7/h8-11,14-16H,12-13,17H2,1-7H3,(H,27,31)(H,28,29)
• InChIKey: QVPCLGFFKBKBEG-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 86.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide?

The IUPAC name of 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide (CID 167497339) is 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide.

What is the SMILES notation for 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide?

The canonical SMILES for 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(C)(C)CC(C)(C)C)c3)c(OCCOC)cc21.

What is the InChIKey of 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide?

The InChIKey is QVPCLGFFKBKBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-25(2,3)17-26(4,5)29-23-15-19(8-10-28-23)34-22-14-18-9-11-30(24(31)27-6)20(18)16-21(22)33-13-12-32-7/h8-11,14-16H,12-13,17H2,1-7H3,(H,27,31)(H,28,29).

What are the key properties of 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide?

6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 167497339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).