2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

C₂₁H₂₁N₇O — CID 121066481

About 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 121066481) has the molecular formula C₂₁H₂₁N₇O and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
• PubChem CID: 121066481
• Molecular Formula: C₂₁H₂₁N₇O
• Molecular Weight: 387.45 g/mol
• Exact Mass: 387.18
• IUPAC Name: 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
• SMILES: O=C(Cc1c[nH]c2ccccc12)NCCNc1ccc(Nc2cccnc2)nn1
• InChI: InChI=1S/C21H21N7O/c29-21(12-15-13-25-18-6-2-1-5-17(15)18)24-11-10-23-19-7-8-20(28-27-19)26-16-4-3-9-22-14-16/h1-9,13-14,25H,10-12H2,(H,23,27)(H,24,29)(H,26,28)
• InChIKey: GOACATBYDMPHEU-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 107.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.45
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?

The IUPAC name of 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (CID 121066481) is 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.

What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?

The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCCNc1ccc(Nc2cccnc2)nn1.

What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?

The InChIKey is GOACATBYDMPHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c29-21(12-15-13-25-18-6-2-1-5-17(15)18)24-11-10-23-19-7-8-20(28-27-19)26-16-4-3-9-22-14-16/h1-9,13-14,25H,10-12H2,(H,23,27)(H,24,29)(H,26,28).

What are the key properties of 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?

2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 387.45 g/mol, XLogP of 2.87, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 121066481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121066481 — identifiers, structure, computed properties (public domain)

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