N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C25H25N7O — CID 121104008

About N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121104008) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 121104008
• Molecular Formula: C25H25N7O
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.21
• IUPAC Name: N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: Cc1cccc(NC(=O)C2CCCN(c3ccc(-n4ccnc4-c4ccccc4)nn3)C2)n1
• InChI: InChI=1S/C25H25N7O/c1-18-7-5-11-21(27-18)28-25(33)20-10-6-15-31(17-20)22-12-13-23(30-29-22)32-16-14-26-24(32)19-8-3-2-4-9-19/h2-5,7-9,11-14,16,20H,6,10,15,17H2,1H3,(H,27,28,33)
• InChIKey: NXCPRNDBSBMWON-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121104008) is N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

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

The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(c3ccc(-n4ccnc4-c4ccccc4)nn3)C2)n1.

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

The InChIKey is NXCPRNDBSBMWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-18-7-5-11-21(27-18)28-25(33)20-10-6-15-31(17-20)22-12-13-23(30-29-22)32-16-14-26-24(32)19-8-3-2-4-9-19/h2-5,7-9,11-14,16,20H,6,10,15,17H2,1H3,(H,27,28,33).

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

N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121104008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).