1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone

C17H20N4O4 — CID 109117379

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone
SMILESO=C(c1ccc(NCc2ccco2)nn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H20N4O4/c22-16(21-7-5-17(6-8-21)24-10-11-25-17)14-3-4-15(20-19-14)18-12-13-2-1-9-23-13/h1-4,9H,5-8,10-12H2,(H,18,20)
InChIKeyUOKANFPHWGMAFR-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.66
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone (PubChem CID 109117379) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone
PubChem CID109117379
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone
SMILESO=C(c1ccc(NCc2ccco2)nn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H20N4O4/c22-16(21-7-5-17(6-8-21)24-10-11-25-17)14-3-4-15(20-19-14)18-12-13-2-1-9-23-13/h1-4,9H,5-8,10-12H2,(H,18,20)
InChIKeyUOKANFPHWGMAFR-UHFFFAOYSA-N
XLogP1.66
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118019
[6-(4-tert-butylanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123607
[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123610
[6-(4-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123612
azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279529
[6-(furan-2-ylmethylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109117496
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303309
[5-(benzylamino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109188006
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209310
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone (CID 109117379) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone is O=C(c1ccc(NCc2ccco2)nn1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone?
The InChIKey is UOKANFPHWGMAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-16(21-7-5-17(6-8-21)24-10-11-25-17)14-3-4-15(20-19-14)18-12-13-2-1-9-23-13/h1-4,9H,5-8,10-12H2,(H,18,20).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone has a molecular weight of 344.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(furan-2-ylmethylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109117379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).