N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide

C21H28N8O3 — CID 135212334

IUPACN-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide
SMILESCC1=C(N2CCC3(CCC(N[C@H](C)c4cnc(/N=C/N=N/N)cn4)CC3)C2=O)COC1=O
InChIInChI=1S/C21H28N8O3/c1-13-17(11-32-19(13)30)29-8-7-21(20(29)31)5-3-15(4-6-21)27-14(2)16-9-24-18(10-23-16)25-12-26-28-22/h9-10,12,14-15,27H,3-8,11H2,1-2H3,(H2,22,24,25,26)/t14-,15?,21?/m1/s1
InChIKeyHNPVMBVWRCTXAK-UMRPUCSYSA-N
MW440.51 g/mol
LogP2.11
Rot. Bonds6

About N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide

N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide (PubChem CID 135212334) has the molecular formula C21H28N8O3 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide.

Molecular Properties

Compound NameN-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide
PubChem CID135212334
Molecular FormulaC21H28N8O3
Molecular Weight440.51 g/mol
Exact Mass440.23
IUPAC NameN-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide
SMILESCC1=C(N2CCC3(CCC(N[C@H](C)c4cnc(/N=C/N=N/N)cn4)CC3)C2=O)COC1=O
InChIInChI=1S/C21H28N8O3/c1-13-17(11-32-19(13)30)29-8-7-21(20(29)31)5-3-15(4-6-21)27-14(2)16-9-24-18(10-23-16)25-12-26-28-22/h9-10,12,14-15,27H,3-8,11H2,1-2H3,(H2,22,24,25,26)/t14-,15?,21?/m1/s1
InChIKeyHNPVMBVWRCTXAK-UMRPUCSYSA-N
XLogP2.11
TPSA147.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide?
The IUPAC name of N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide (CID 135212334) is N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide.
What is the SMILES notation for N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide?
The canonical SMILES for N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide is CC1=C(N2CCC3(CCC(N[C@H](C)c4cnc(/N=C/N=N/N)cn4)CC3)C2=O)COC1=O.
What is the InChIKey of N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide?
The InChIKey is HNPVMBVWRCTXAK-UMRPUCSYSA-N. The full InChI is InChI=1S/C21H28N8O3/c1-13-17(11-32-19(13)30)29-8-7-21(20(29)31)5-3-15(4-6-21)27-14(2)16-9-24-18(10-23-16)25-12-26-28-22/h9-10,12,14-15,27H,3-8,11H2,1-2H3,(H2,22,24,25,26)/t14-,15?,21?/m1/s1.
What are the key properties of N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide?
N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide has a molecular weight of 440.51 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide is sourced from PubChem (CID 135212334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).