(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide

C23H24ClN3O5 — CID 92881079

About (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide

(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide (PubChem CID 92881079) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

• Compound Name: (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide
• PubChem CID: 92881079
• Molecular Formula: C23H24ClN3O5
• Molecular Weight: 457.91 g/mol
• Exact Mass: 457.14
• IUPAC Name: (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide
• SMILES: CC[C@@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)Nc1ccc(OC)c(OC)c1
• InChI: InChI=1S/C23H24ClN3O5/c1-5-18(23(29)25-16-8-9-19(30-3)20(13-16)31-4)32-21-10-11-22(28)27(26-21)17-12-15(24)7-6-14(17)2/h6-13,18H,5H2,1-4H3,(H,25,29)/t18-/m1/s1
• InChIKey: SVDDHNPXWBXXAC-GOSISDBHSA-N
• XLogP: 4.01
• TPSA: 91.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.91
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide?

The IUPAC name of (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide (CID 92881079) is (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide.

What is the SMILES notation for (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide?

The canonical SMILES for (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide is CC[C@@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)Nc1ccc(OC)c(OC)c1.

What is the InChIKey of (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide?

The InChIKey is SVDDHNPXWBXXAC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c1-5-18(23(29)25-16-8-9-19(30-3)20(13-16)31-4)32-21-10-11-22(28)27(26-21)17-12-15(24)7-6-14(17)2/h6-13,18H,5H2,1-4H3,(H,25,29)/t18-/m1/s1.

What are the key properties of (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide?

(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 457.91 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 92881079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).