[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone

C19H24N4O3 — CID 131640830

About [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone

[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone (PubChem CID 131640830) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone.

Molecular Properties

• Compound Name: [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
• PubChem CID: 131640830
• Molecular Formula: C19H24N4O3
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.18
• IUPAC Name: [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
• SMILES: CN(Cc1ccco1)C1COC2(CCN(C(=O)c3ccnnc3)CC2)C1
• InChI: InChI=1S/C19H24N4O3/c1-22(13-17-3-2-10-25-17)16-11-19(26-14-16)5-8-23(9-6-19)18(24)15-4-7-20-21-12-15/h2-4,7,10,12,16H,5-6,8-9,11,13-14H2,1H3
• InChIKey: WHGCJHKSAQFBOZ-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?

The IUPAC name of [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone (CID 131640830) is [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone.

What is the SMILES notation for [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?

The canonical SMILES for [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone is CN(Cc1ccco1)C1COC2(CCN(C(=O)c3ccnnc3)CC2)C1.

What is the InChIKey of [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?

The InChIKey is WHGCJHKSAQFBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22(13-17-3-2-10-25-17)16-11-19(26-14-16)5-8-23(9-6-19)18(24)15-4-7-20-21-12-15/h2-4,7,10,12,16H,5-6,8-9,11,13-14H2,1H3.

What are the key properties of [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?

[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone has a molecular weight of 356.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 131640830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).