2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide

C17H14N6O5 — CID 134816555

IUPAC2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide
SMILESNC(=O)c1c(COc2ccccc2/C=N/NC(=O)c2ccncc2)no[n+]1[O-]
InChIInChI=1S/C17H14N6O5/c18-16(24)15-13(22-28-23(15)26)10-27-14-4-2-1-3-12(14)9-20-21-17(25)11-5-7-19-8-6-11/h1-9H,10H2,(H2,18,24)(H,21,25)/b20-9+
InChIKeyZOWARYFSZVUOAG-AWQFTUOYSA-N
MW382.34 g/mol
LogP0.14
Rot. Bonds7

About 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide

2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide (PubChem CID 134816555) has the molecular formula C17H14N6O5 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide.

Molecular Properties

Compound Name2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide
PubChem CID134816555
Molecular FormulaC17H14N6O5
Molecular Weight382.34 g/mol
Exact Mass382.10
IUPAC Name2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide
SMILESNC(=O)c1c(COc2ccccc2/C=N/NC(=O)c2ccncc2)no[n+]1[O-]
InChIInChI=1S/C17H14N6O5/c18-16(24)15-13(22-28-23(15)26)10-27-14-4-2-1-3-12(14)9-20-21-17(25)11-5-7-19-8-6-11/h1-9H,10H2,(H2,18,24)(H,21,25)/b20-9+
InChIKeyZOWARYFSZVUOAG-AWQFTUOYSA-N
XLogP0.14
TPSA159.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide 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 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide?
The IUPAC name of 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide (CID 134816555) is 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide.
What is the SMILES notation for 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide?
The canonical SMILES for 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide is NC(=O)c1c(COc2ccccc2/C=N/NC(=O)c2ccncc2)no[n+]1[O-].
What is the InChIKey of 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide?
The InChIKey is ZOWARYFSZVUOAG-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H14N6O5/c18-16(24)15-13(22-28-23(15)26)10-27-14-4-2-1-3-12(14)9-20-21-17(25)11-5-7-19-8-6-11/h1-9H,10H2,(H2,18,24)(H,21,25)/b20-9+.
What are the key properties of 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide?
2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxido-4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]-1,2,5-oxadiazol-2-ium-3-carboxamide is sourced from PubChem (CID 134816555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).