N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C28H30N6O2 — CID 121104051

About N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121104051) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 121104051
• Molecular Formula: C28H30N6O2
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.24
• IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: COc1ccc(CCNC(=O)C2CCCN(c3ccc(-n4ccnc4-c4ccccc4)nn3)C2)cc1
• InChI: InChI=1S/C28H30N6O2/c1-36-24-11-9-21(10-12-24)15-16-30-28(35)23-8-5-18-33(20-23)25-13-14-26(32-31-25)34-19-17-29-27(34)22-6-3-2-4-7-22/h2-4,6-7,9-14,17,19,23H,5,8,15-16,18,20H2,1H3,(H,30,35)
• InChIKey: UXEZLPNAJDDXSM-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?

The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121104051) is N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is COc1ccc(CCNC(=O)C2CCCN(c3ccc(-n4ccnc4-c4ccccc4)nn3)C2)cc1.

What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?

The InChIKey is UXEZLPNAJDDXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-36-24-11-9-21(10-12-24)15-16-30-28(35)23-8-5-18-33(20-23)25-13-14-26(32-31-25)34-19-17-29-27(34)22-6-3-2-4-7-22/h2-4,6-7,9-14,17,19,23H,5,8,15-16,18,20H2,1H3,(H,30,35).

What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?

N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121104051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).