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

C24H25N3O3 — CID 108785018

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

4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 108785018) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide
• PubChem CID: 108785018
• Molecular Formula: C24H25N3O3
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.19
• IUPAC Name: 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide
• SMILES: Cc1cccc(-n2nc(C(=O)NC(C)c3ccc4c(c3)CCCC4)c(O)cc2=O)c1
• InChI: InChI=1S/C24H25N3O3/c1-15-6-5-9-20(12-15)27-22(29)14-21(28)23(26-27)24(30)25-16(2)18-11-10-17-7-3-4-8-19(17)13-18/h5-6,9-14,16,28H,3-4,7-8H2,1-2H3,(H,25,30)
• InChIKey: AWWKXARNCMMCFY-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide (CID 108785018) is 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide.

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

The canonical SMILES for 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)NC(C)c3ccc4c(c3)CCCC4)c(O)cc2=O)c1.

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

The InChIKey is AWWKXARNCMMCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15-6-5-9-20(12-15)27-22(29)14-21(28)23(26-27)24(30)25-16(2)18-11-10-17-7-3-4-8-19(17)13-18/h5-6,9-14,16,28H,3-4,7-8H2,1-2H3,(H,25,30).

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

4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 108785018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).