N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C25H27N5O3 — CID 171152632

About N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 171152632) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
• PubChem CID: 171152632
• Molecular Formula: C25H27N5O3
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.21
• IUPAC Name: N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
• SMILES: O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CC2CC(C1)c1cccc(=O)n1C2
• InChI: InChI=1S/C25H27N5O3/c31-23(17-30-25(33)10-9-21(27-30)19-5-2-1-3-6-19)26-11-12-28-14-18-13-20(16-28)22-7-4-8-24(32)29(22)15-18/h1-10,18,20H,11-17H2,(H,26,31)
• InChIKey: SIYIJDPAHOOZBV-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?

The IUPAC name of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 171152632) is N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

What is the SMILES notation for N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?

The canonical SMILES for N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CC2CC(C1)c1cccc(=O)n1C2.

What is the InChIKey of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?

The InChIKey is SIYIJDPAHOOZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c31-23(17-30-25(33)10-9-21(27-30)19-5-2-1-3-6-19)26-11-12-28-14-18-13-20(16-28)22-7-4-8-24(32)29(22)15-18/h1-10,18,20H,11-17H2,(H,26,31).

What are the key properties of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?

N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 445.52 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 171152632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).