N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C27H28N6O — CID 121104023

About N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121104023) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 121104023
• Molecular Formula: C27H28N6O
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.23
• IUPAC Name: N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: Cc1cc(C)cc(NC(=O)C2CCCN(c3ccc(-n4ccnc4-c4ccccc4)nn3)C2)c1
• InChI: InChI=1S/C27H28N6O/c1-19-15-20(2)17-23(16-19)29-27(34)22-9-6-13-32(18-22)24-10-11-25(31-30-24)33-14-12-28-26(33)21-7-4-3-5-8-21/h3-5,7-8,10-12,14-17,22H,6,9,13,18H2,1-2H3,(H,29,34)
• InChIKey: QAQPPRHEXMNSTB-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121104023) is N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

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

The canonical SMILES for N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1cc(C)cc(NC(=O)C2CCCN(c3ccc(-n4ccnc4-c4ccccc4)nn3)C2)c1.

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

The InChIKey is QAQPPRHEXMNSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-19-15-20(2)17-23(16-19)29-27(34)22-9-6-13-32(18-22)24-10-11-25(31-30-24)33-14-12-28-26(33)21-7-4-3-5-8-21/h3-5,7-8,10-12,14-17,22H,6,9,13,18H2,1-2H3,(H,29,34).

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

N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121104023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).