2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C24H26ClN3O4 — CID 46381733

About 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 46381733) has the molecular formula C24H26ClN3O4 and a molecular weight of 455.94 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
• PubChem CID: 46381733
• Molecular Formula: C24H26ClN3O4
• Molecular Weight: 455.94 g/mol
• Exact Mass: 455.16
• IUPAC Name: 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
• SMILES: Cc1ccc(Cl)cc1-n1nc(OC(C)C(=O)NCc2ccc(OC(C)C)cc2)ccc1=O
• InChI: InChI=1S/C24H26ClN3O4/c1-15(2)31-20-9-6-18(7-10-20)14-26-24(30)17(4)32-22-11-12-23(29)28(27-22)21-13-19(25)8-5-16(21)3/h5-13,15,17H,14H2,1-4H3,(H,26,30)
• InChIKey: LMBCLORZNYYPLN-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.94
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?

The IUPAC name of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 46381733) is 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

What is the SMILES notation for 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?

The canonical SMILES for 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is Cc1ccc(Cl)cc1-n1nc(OC(C)C(=O)NCc2ccc(OC(C)C)cc2)ccc1=O.

What is the InChIKey of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?

The InChIKey is LMBCLORZNYYPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4/c1-15(2)31-20-9-6-18(7-10-20)14-26-24(30)17(4)32-22-11-12-23(29)28(27-22)21-13-19(25)8-5-16(21)3/h5-13,15,17H,14H2,1-4H3,(H,26,30).

What are the key properties of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?

2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 455.94 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 46381733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).