1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide

C23H25ClN6O2 — CID 121119423

About 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 121119423) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide
• PubChem CID: 121119423
• Molecular Formula: C23H25ClN6O2
• Molecular Weight: 452.95 g/mol
• Exact Mass: 452.17
• IUPAC Name: 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide
• SMILES: Cc1cc(=O)n(CCNC(=O)C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)cn1
• InChI: InChI=1S/C23H25ClN6O2/c1-16-14-22(31)30(15-26-16)13-10-25-23(32)18-8-11-29(12-9-18)21-7-6-20(27-28-21)17-2-4-19(24)5-3-17/h2-7,14-15,18H,8-13H2,1H3,(H,25,32)
• InChIKey: ONORUUWFNZKRHQ-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.95
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide (CID 121119423) is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide is Cc1cc(=O)n(CCNC(=O)C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)cn1.

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

The InChIKey is ONORUUWFNZKRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c1-16-14-22(31)30(15-26-16)13-10-25-23(32)18-8-11-29(12-9-18)21-7-6-20(27-28-21)17-2-4-19(24)5-3-17/h2-7,14-15,18H,8-13H2,1H3,(H,25,32).

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

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 452.95 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 121119423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).