2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide

C17H26N4O4 — CID 131655778

About 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide

2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide (PubChem CID 131655778) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

• Compound Name: 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide
• PubChem CID: 131655778
• Molecular Formula: C17H26N4O4
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.20
• IUPAC Name: 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide
• SMILES: CC(C)NC(=O)N1CCOCC2(CCC(Cn3ncccc3=O)O2)C1
• InChI: InChI=1S/C17H26N4O4/c1-13(2)19-16(23)20-8-9-24-12-17(11-20)6-5-14(25-17)10-21-15(22)4-3-7-18-21/h3-4,7,13-14H,5-6,8-12H2,1-2H3,(H,19,23)
• InChIKey: QCDKPRFWHGAIKD-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide?

The IUPAC name of 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide (CID 131655778) is 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide.

What is the SMILES notation for 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide?

The canonical SMILES for 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide is CC(C)NC(=O)N1CCOCC2(CCC(Cn3ncccc3=O)O2)C1.

What is the InChIKey of 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide?

The InChIKey is QCDKPRFWHGAIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-13(2)19-16(23)20-8-9-24-12-17(11-20)6-5-14(25-17)10-21-15(22)4-3-7-18-21/h3-4,7,13-14H,5-6,8-12H2,1-2H3,(H,19,23).

What are the key properties of 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide?

2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-oxopyridazin-1-yl)methyl]-N-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 131655778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).