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

C24H30N6O3 — CID 121103764

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121103764) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 121103764
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: COc1ccc(CCNC(=O)C2CCCN(c3ccc(-n4ccnc4C)nn3)C2)cc1OC
• InChI: InChI=1S/C24H30N6O3/c1-17-25-12-14-30(17)23-9-8-22(27-28-23)29-13-4-5-19(16-29)24(31)26-11-10-18-6-7-20(32-2)21(15-18)33-3/h6-9,12,14-15,19H,4-5,10-11,13,16H2,1-3H3,(H,26,31)
• InChIKey: RCTIVEHVPAQKBQ-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 94.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121103764) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

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

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is COc1ccc(CCNC(=O)C2CCCN(c3ccc(-n4ccnc4C)nn3)C2)cc1OC.

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

The InChIKey is RCTIVEHVPAQKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-17-25-12-14-30(17)23-9-8-22(27-28-23)29-13-4-5-19(16-29)24(31)26-11-10-18-6-7-20(32-2)21(15-18)33-3/h6-9,12,14-15,19H,4-5,10-11,13,16H2,1-3H3,(H,26,31).

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121103764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).