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

C24H26ClN3O5 — CID 92881120

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

(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide (PubChem CID 92881120) has the molecular formula C24H26ClN3O5 and a molecular weight of 471.94 g/mol. Its IUPAC name is (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide.

Molecular Properties

• Compound Name: (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide
• PubChem CID: 92881120
• Molecular Formula: C24H26ClN3O5
• Molecular Weight: 471.94 g/mol
• Exact Mass: 471.16
• IUPAC Name: (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide
• SMILES: CC[C@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1cc(OC)ccc1OC
• InChI: InChI=1S/C24H26ClN3O5/c1-5-20(24(30)26-14-16-12-18(31-3)8-9-21(16)32-4)33-22-10-11-23(29)28(27-22)19-13-17(25)7-6-15(19)2/h6-13,20H,5,14H2,1-4H3,(H,26,30)/t20-/m0/s1
• InChIKey: VLRNLLDGATWNOU-FQEVSTJZSA-N
• XLogP: 3.69
• TPSA: 91.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.94
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide (CID 92881120) is (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide.

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

The canonical SMILES for (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide is CC[C@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1cc(OC)ccc1OC.

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

The InChIKey is VLRNLLDGATWNOU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26ClN3O5/c1-5-20(24(30)26-14-16-12-18(31-3)8-9-21(16)32-4)33-22-10-11-23(29)28(27-22)19-13-17(25)7-6-15(19)2/h6-13,20H,5,14H2,1-4H3,(H,26,30)/t20-/m0/s1.

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

(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide has a molecular weight of 471.94 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 92881120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).