N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide

C₁₉H₂₂N₆O — CID 122327087

About N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide

N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide (PubChem CID 122327087) has the molecular formula C₁₉H₂₂N₆O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
• PubChem CID: 122327087
• Molecular Formula: C₁₉H₂₂N₆O
• Molecular Weight: 350.43 g/mol
• Exact Mass: 350.19
• IUPAC Name: N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
• SMILES: Cc1ccn(-c2ccc(NCCNC(=O)CCc3ccccc3)nn2)n1
• InChI: InChI=1S/C19H22N6O/c1-15-11-14-25(24-15)18-9-8-17(22-23-18)20-12-13-21-19(26)10-7-16-5-3-2-4-6-16/h2-6,8-9,11,14H,7,10,12-13H2,1H3,(H,20,22)(H,21,26)
• InChIKey: DDXGNHQOANEJKW-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.43
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
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 N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide?

The IUPAC name of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide (CID 122327087) is N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide.

What is the SMILES notation for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide?

The canonical SMILES for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide is Cc1ccn(-c2ccc(NCCNC(=O)CCc3ccccc3)nn2)n1.

What is the InChIKey of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide?

The InChIKey is DDXGNHQOANEJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-15-11-14-25(24-15)18-9-8-17(22-23-18)20-12-13-21-19(26)10-7-16-5-3-2-4-6-16/h2-6,8-9,11,14H,7,10,12-13H2,1H3,(H,20,22)(H,21,26).

What are the key properties of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide?

N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide has a molecular weight of 350.43 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 122327087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122327087 — identifiers, structure, computed properties (public domain)

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