N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide

C20H20N6O3 — CID 122278125

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide (PubChem CID 122278125) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
• PubChem CID: 122278125
• Molecular Formula: C20H20N6O3
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.16
• IUPAC Name: N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
• SMILES: O=C(Cn1nc(-c2ccncc2)ccc1=O)NCCn1nc(C2CC2)ccc1=O
• InChI: InChI=1S/C20H20N6O3/c27-18(22-11-12-25-19(28)5-3-16(23-25)14-1-2-14)13-26-20(29)6-4-17(24-26)15-7-9-21-10-8-15/h3-10,14H,1-2,11-13H2,(H,22,27)
• InChIKey: DBEWVUDONWZPLY-UHFFFAOYSA-N
• XLogP: 0.56
• TPSA: 111.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?

The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide (CID 122278125) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide.

What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?

The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccncc2)ccc1=O)NCCn1nc(C2CC2)ccc1=O.

What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?

The InChIKey is DBEWVUDONWZPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c27-18(22-11-12-25-19(28)5-3-16(23-25)14-1-2-14)13-26-20(29)6-4-17(24-26)15-7-9-21-10-8-15/h3-10,14H,1-2,11-13H2,(H,22,27).

What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide has a molecular weight of 392.42 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 122278125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).