N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C13H18N4O2 — CID 67403867

IUPACN-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C13H18N4O2/c18-12(15-11-3-1-7-14-16-11)17-8-5-13(6-9-17)4-2-10-19-13/h1,3,7H,2,4-6,8-10H2,(H,15,16,18)
InChIKeyYLXSXLGNAALJOK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.65
Rot. Bonds1

About N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 67403867) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID67403867
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C13H18N4O2/c18-12(15-11-3-1-7-14-16-11)17-8-5-13(6-9-17)4-2-10-19-13/h1,3,7H,2,4-6,8-10H2,(H,15,16,18)
InChIKeyYLXSXLGNAALJOK-UHFFFAOYSA-N
XLogP1.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 67403867) is N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1cccnn1)N1CCC2(CCCO2)CC1.
What is the InChIKey of N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is YLXSXLGNAALJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12(15-11-3-1-7-14-16-11)17-8-5-13(6-9-17)4-2-10-19-13/h1,3,7H,2,4-6,8-10H2,(H,15,16,18).
What are the key properties of N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 67403867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).