2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C17H20N6O4 — CID 24558433

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1nn(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(=O)c(C#N)c1C
InChIInChI=1S/C17H20N6O4/c1-10-11(2)20-22(14(25)12(10)8-18)9-13(24)21-23-15(26)17(19-16(23)27)6-4-3-5-7-17/h3-7,9H2,1-2H3,(H,19,27)(H,21,24)
InChIKeyLWSMNRKAFSWLSH-UHFFFAOYSA-N
MW372.39 g/mol
LogP0.02
Rot. Bonds3

About 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 24558433) has the molecular formula C17H20N6O4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID24558433
Molecular FormulaC17H20N6O4
Molecular Weight372.39 g/mol
Exact Mass372.15
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1nn(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(=O)c(C#N)c1C
InChIInChI=1S/C17H20N6O4/c1-10-11(2)20-22(14(25)12(10)8-18)9-13(24)21-23-15(26)17(19-16(23)27)6-4-3-5-7-17/h3-7,9H2,1-2H3,(H,19,27)(H,21,24)
InChIKeyLWSMNRKAFSWLSH-UHFFFAOYSA-N
XLogP0.02
TPSA137.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 18202909
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 24537035
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24558434
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 25481899
1-butyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
CID 31202206
1-butyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxopyridazine-3-carboxamide
CID 33255286
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 45734375

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 24558433) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1nn(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(=O)c(C#N)c1C.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is LWSMNRKAFSWLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O4/c1-10-11(2)20-22(14(25)12(10)8-18)9-13(24)21-23-15(26)17(19-16(23)27)6-4-3-5-7-17/h3-7,9H2,1-2H3,(H,19,27)(H,21,24).
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 372.39 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 24558433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).