6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide

C18H19FN4O3 — CID 109123532

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C18H19FN4O3/c19-13-3-1-2-4-14(13)20-17(24)15-5-6-16(22-21-15)23-9-7-18(8-10-23)25-11-12-26-18/h1-6H,7-12H2,(H,20,24)
InChIKeyDRUBQICLUHORCV-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.21
Rot. Bonds3

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide (PubChem CID 109123532) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
PubChem CID109123532
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C18H19FN4O3/c19-13-3-1-2-4-14(13)20-17(24)15-5-6-16(22-21-15)23-9-7-18(8-10-23)25-11-12-26-18/h1-6H,7-12H2,(H,20,24)
InChIKeyDRUBQICLUHORCV-UHFFFAOYSA-N
XLogP2.21
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193919
N-(3,4-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123570
N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123538
N-(3-chloro-4-fluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123541
N-(2,4-dimethylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123515
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
methyl 4-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109123556
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109123501
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118140
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
CID 109286066

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide (CID 109123532) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccccc1F)c1ccc(N2CCC3(CC2)OCCO3)nn1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide?
The InChIKey is DRUBQICLUHORCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-13-3-1-2-4-14(13)20-17(24)15-5-6-16(22-21-15)23-9-7-18(8-10-23)25-11-12-26-18/h1-6H,7-12H2,(H,20,24).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109123532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).