N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide

C₁₆H₁₅N₅O₂ — CID 166325203

About N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 166325203) has the molecular formula C₁₆H₁₅N₅O₂ and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 166325203
• Molecular Formula: C₁₆H₁₅N₅O₂
• Molecular Weight: 309.33 g/mol
• Exact Mass: 309.12
• IUPAC Name: N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1cccc(CNC(=O)c2cnc3cccnn23)c1
• InChI: InChI=1S/C16H15N5O2/c1-17-15(22)12-5-2-4-11(8-12)9-19-16(23)13-10-18-14-6-3-7-20-21(13)14/h2-8,10H,9H2,1H3,(H,17,22)(H,19,23)
• InChIKey: WJQZNYNZXRSKPM-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.33
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 166325203) is N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide is CNC(=O)c1cccc(CNC(=O)c2cnc3cccnn23)c1.

What is the InChIKey of N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is WJQZNYNZXRSKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-17-15(22)12-5-2-4-11(8-12)9-19-16(23)13-10-18-14-6-3-7-20-21(13)14/h2-8,10H,9H2,1H3,(H,17,22)(H,19,23).

What are the key properties of N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide?

N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 166325203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166325203 — identifiers, structure, computed properties (public domain)

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