1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide

C24H24BrN3O3 — CID 108791427

About 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide

1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide (PubChem CID 108791427) has the molecular formula C24H24BrN3O3 and a molecular weight of 482.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide
• PubChem CID: 108791427
• Molecular Formula: C24H24BrN3O3
• Molecular Weight: 482.38 g/mol
• Exact Mass: 481.10
• IUPAC Name: 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide
• SMILES: CCC(NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C24H24BrN3O3/c1-2-20(17-8-7-15-5-3-4-6-16(15)13-17)26-24(31)23-21(29)14-22(30)28(27-23)19-11-9-18(25)10-12-19/h7-14,20,29H,2-6H2,1H3,(H,26,31)
• InChIKey: XJLSEKGNRDLEQW-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.38
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide?

The IUPAC name of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide (CID 108791427) is 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide.

What is the SMILES notation for 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide?

The canonical SMILES for 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide is CCC(NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O)c1ccc2c(c1)CCCC2.

What is the InChIKey of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide?

The InChIKey is XJLSEKGNRDLEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O3/c1-2-20(17-8-7-15-5-3-4-6-16(15)13-17)26-24(31)23-21(29)14-22(30)28(27-23)19-11-9-18(25)10-12-19/h7-14,20,29H,2-6H2,1H3,(H,26,31).

What are the key properties of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide?

1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide has a molecular weight of 482.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 108791427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).