N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

C23H28N6O3 — CID 90514213

About N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 90514213) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
• PubChem CID: 90514213
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
• SMILES: COc1ccc(NC(=O)C2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c(OC)c1
• InChI: InChI=1S/C23H28N6O3/c1-15-13-16(2)29(27-15)22-8-7-21(25-26-22)28-11-9-17(10-12-28)23(30)24-19-6-5-18(31-3)14-20(19)32-4/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,30)
• InChIKey: TYVPSGVJTSCTFG-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 94.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The IUPAC name of N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 90514213) is N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c(OC)c1.

What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The InChIKey is TYVPSGVJTSCTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-15-13-16(2)29(27-15)22-8-7-21(25-26-22)28-11-9-17(10-12-28)23(30)24-19-6-5-18(31-3)14-20(19)32-4/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,30).

What are the key properties of N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90514213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).