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

C17H26N4O3 — CID 109123501

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C17H26N4O3/c1-13(2)5-8-18-16(22)14-3-4-15(20-19-14)21-9-6-17(7-10-21)23-11-12-24-17/h3-4,13H,5-12H2,1-2H3,(H,18,22)
InChIKeyLKRYFMUFFZPETL-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.60
Rot. Bonds5

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

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide (PubChem CID 109123501) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
PubChem CID109123501
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C17H26N4O3/c1-13(2)5-8-18-16(22)14-3-4-15(20-19-14)21-9-6-17(7-10-21)23-11-12-24-17/h3-4,13H,5-12H2,1-2H3,(H,18,22)
InChIKeyLKRYFMUFFZPETL-UHFFFAOYSA-N
XLogP1.60
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide with MolForge

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Related Compounds

6-[4-(3,3,3-TRIFLUORO-2-METHYL-2-TRIFLUOROMETHYLPROPIONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11442719
N-cyclohexyl-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide
CID 141463729
N-cyclohexyl-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide
CID 141463762
6-[4-(2-TRIFLUOROMETHYLCYCLOPROPANECARBONYL)PIPERAZIN-1-YL]-PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11258405
N-cyclohexyl-6-morpholinopyridazine-3-carboxamide
CID 109112982
[4-(2-Hydroxypropyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 53625217
[6-(Dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone
CID 56803211
N-(2-cyclopropylethyl)-6-[4-[(Z)-4,4,4-trifluorobut-2-enoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 71521268
N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide
CID 84589377
N-methyl-6-(piperazin-1-yl)pyridazine-3-carboxamide dihydrochloride
CID 165943092
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-6-morpholinopyridazine-3-carboxamide
CID 71778606
6-(2,2-dimethylmorpholin-4-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 56793169

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide (CID 109123501) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCC3(CC2)OCCO3)nn1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide?
The InChIKey is LKRYFMUFFZPETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13(2)5-8-18-16(22)14-3-4-15(20-19-14)21-9-6-17(7-10-21)23-11-12-24-17/h3-4,13H,5-12H2,1-2H3,(H,18,22).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.60, 5 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-(3-methylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109123501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).