N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C28H26N8O — CID 167759639

About N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 167759639) has the molecular formula C28H26N8O and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
• PubChem CID: 167759639
• Molecular Formula: C28H26N8O
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.22
• IUPAC Name: N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
• SMILES: Cc1ccc(-c2cc(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)nc(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C28H26N8O/c1-19-7-9-20(10-8-19)23-17-24(21-5-3-2-4-6-21)29-25(18-23)30-28(37)22-13-15-35(16-14-22)27-12-11-26-31-33-34-36(26)32-27/h2-12,17-18,22H,13-16H2,1H3,(H,29,30,37)
• InChIKey: VMTMSDCEXCLJQY-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 101.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The IUPAC name of N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 167759639) is N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The canonical SMILES for N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is Cc1ccc(-c2cc(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)nc(-c3ccccc3)c2)cc1.

What is the InChIKey of N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The InChIKey is VMTMSDCEXCLJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O/c1-19-7-9-20(10-8-19)23-17-24(21-5-3-2-4-6-21)29-25(18-23)30-28(37)22-13-15-35(16-14-22)27-12-11-26-31-33-34-36(26)32-27/h2-12,17-18,22H,13-16H2,1H3,(H,29,30,37).

What are the key properties of N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 167759639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).