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

C23H31N7O4 — CID 135212360

IUPACN-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide
SMILESCC1=C(N2CCC3(CCC(N(C)[C@H](CO)c4ccc(/N=C/N=N/N)nc4)CC3)C2=O)COC1=O
InChIInChI=1S/C23H31N7O4/c1-15-19(13-34-21(15)32)30-10-9-23(22(30)33)7-5-17(6-8-23)29(2)18(12-31)16-3-4-20(25-11-16)26-14-27-28-24/h3-4,11,14,17-18,31H,5-10,12-13H2,1-2H3,(H2,24,25,26,27)/t17?,18-,23?/m1/s1
InChIKeyGTOIIYCXEQETEN-FRIYVGAWSA-N
MW469.55 g/mol
LogP2.02
Rot. Bonds7

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

N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide (PubChem CID 135212360) has the molecular formula C23H31N7O4 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide.

Molecular Properties

Compound NameN-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide
PubChem CID135212360
Molecular FormulaC23H31N7O4
Molecular Weight469.55 g/mol
Exact Mass469.24
IUPAC NameN-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide
SMILESCC1=C(N2CCC3(CCC(N(C)[C@H](CO)c4ccc(/N=C/N=N/N)nc4)CC3)C2=O)COC1=O
InChIInChI=1S/C23H31N7O4/c1-15-19(13-34-21(15)32)30-10-9-23(22(30)33)7-5-17(6-8-23)29(2)18(12-31)16-3-4-20(25-11-16)26-14-27-28-24/h3-4,11,14,17-18,31H,5-10,12-13H2,1-2H3,(H2,24,25,26,27)/t17?,18-,23?/m1/s1
InChIKeyGTOIIYCXEQETEN-FRIYVGAWSA-N
XLogP2.02
TPSA146.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.02
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'}

Analyze N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide?
The IUPAC name of N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide (CID 135212360) is N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide.
What is the SMILES notation for N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide?
The canonical SMILES for N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide is CC1=C(N2CCC3(CCC(N(C)[C@H](CO)c4ccc(/N=C/N=N/N)nc4)CC3)C2=O)COC1=O.
What is the InChIKey of N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide?
The InChIKey is GTOIIYCXEQETEN-FRIYVGAWSA-N. The full InChI is InChI=1S/C23H31N7O4/c1-15-19(13-34-21(15)32)30-10-9-23(22(30)33)7-5-17(6-8-23)29(2)18(12-31)16-3-4-20(25-11-16)26-14-27-28-24/h3-4,11,14,17-18,31H,5-10,12-13H2,1-2H3,(H2,24,25,26,27)/t17?,18-,23?/m1/s1.
What are the key properties of N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide?
N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide has a molecular weight of 469.55 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide is sourced from PubChem (CID 135212360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).