8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

C21H26N6O3 — CID 135212204

IUPAC8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESC=CN(N=C)c1cnc(CNC2CCC3(CC2)CCN(C2=CC(=O)OC2)C3=O)cn1
InChIInChI=1S/C21H26N6O3/c1-3-27(22-2)18-13-24-16(12-25-18)11-23-15-4-6-21(7-5-15)8-9-26(20(21)29)17-10-19(28)30-14-17/h3,10,12-13,15,23H,1-2,4-9,11,14H2
InChIKeyAEPIGKQXQFZCGM-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.73
Rot. Bonds7

About 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 135212204) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID135212204
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESC=CN(N=C)c1cnc(CNC2CCC3(CC2)CCN(C2=CC(=O)OC2)C3=O)cn1
InChIInChI=1S/C21H26N6O3/c1-3-27(22-2)18-13-24-16(12-25-18)11-23-15-4-6-21(7-5-15)8-9-26(20(21)29)17-10-19(28)30-14-17/h3,10,12-13,15,23H,1-2,4-9,11,14H2
InChIKeyAEPIGKQXQFZCGM-UHFFFAOYSA-N
XLogP1.73
TPSA100.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one with MolForge

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Related Compounds

8-[2-[(E)-2-(methylideneamino)-2-(tetrazol-1-yl)ethenyl]iminopropylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 126566161
N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 144885529
8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 144882868
8-[[(2Z,4E)-2,5-diamino-5-[ethenyl-(methylideneamino)amino]penta-2,4-dienyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 135212238
(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118233005
N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide
CID 135212075
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-2-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118225217
5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid
CID 117213219
8-[[6-[(diazenyl-λ3-iodanylidene)methylamino]-3-pyridinyl]methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 144882894
8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 135184289
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 144557630
N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen
CID 144882850

Frequently Asked Questions

What is the IUPAC name of 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (CID 135212204) is 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is C=CN(N=C)c1cnc(CNC2CCC3(CC2)CCN(C2=CC(=O)OC2)C3=O)cn1.
What is the InChIKey of 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is AEPIGKQXQFZCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-3-27(22-2)18-13-24-16(12-25-18)11-23-15-4-6-21(7-5-15)8-9-26(20(21)29)17-10-19(28)30-14-17/h3,10,12-13,15,23H,1-2,4-9,11,14H2.
What are the key properties of 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 410.48 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 135212204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).