N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide

C21H24N6O4 — CID 90517903

About N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide

N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 90517903) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
• PubChem CID: 90517903
• Molecular Formula: C21H24N6O4
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.19
• IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
• SMILES: COc1ccc(NC(C)=O)cc1NC(=O)C(C)n1nc(-n2nc(C)cc2C)ccc1=O
• InChI: InChI=1S/C21H24N6O4/c1-12-10-13(2)26(24-12)19-8-9-20(29)27(25-19)14(3)21(30)23-17-11-16(22-15(4)28)6-7-18(17)31-5/h6-11,14H,1-5H3,(H,22,28)(H,23,30)
• InChIKey: IQJDABADMNXYLA-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 120.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?

The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide (CID 90517903) is N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide.

What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?

The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide is COc1ccc(NC(C)=O)cc1NC(=O)C(C)n1nc(-n2nc(C)cc2C)ccc1=O.

What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?

The InChIKey is IQJDABADMNXYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-12-10-13(2)26(24-12)19-8-9-20(29)27(25-19)14(3)21(30)23-17-11-16(22-15(4)28)6-7-18(17)31-5/h6-11,14H,1-5H3,(H,22,28)(H,23,30).

What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?

N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 424.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 90517903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).