azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium

C15H18N6O4 — CID 173185304

IUPACazane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium
SMILESN.O=C(COc1ccc(C[N+]([O-])=NO)cc1)NN=Cc1cccnc1
InChIInChI=1S/C15H15N5O4.H3N/c21-15(18-17-9-13-2-1-7-16-8-13)11-24-14-5-3-12(4-6-14)10-20(23)19-22;/h1-9,22H,10-11H2,(H,18,21);1H3
InChIKeyLVPXTQXBCIHKAC-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.62
Rot. Bonds7

About azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium

azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium (PubChem CID 173185304) has the molecular formula C15H18N6O4 and a molecular weight of 346.35 g/mol. Its IUPAC name is azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium.

Molecular Properties

Compound Nameazane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium
PubChem CID173185304
Molecular FormulaC15H18N6O4
Molecular Weight346.35 g/mol
Exact Mass346.14
IUPAC Nameazane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium
SMILESN.O=C(COc1ccc(C[N+]([O-])=NO)cc1)NN=Cc1cccnc1
InChIInChI=1S/C15H15N5O4.H3N/c21-15(18-17-9-13-2-1-7-16-8-13)11-24-14-5-3-12(4-6-14)10-20(23)19-22;/h1-9,22H,10-11H2,(H,18,21);1H3
InChIKeyLVPXTQXBCIHKAC-UHFFFAOYSA-N
XLogP1.62
TPSA157.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethoxy]phenyl]methyl-hydroxyimino-oxidoazanium
CID 173185126
2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6042930
2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665
2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6005888
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19190191
2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
CID 10526552

Frequently Asked Questions

What is the IUPAC name of azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium?
The IUPAC name of azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium (CID 173185304) is azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium.
What is the SMILES notation for azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium?
The canonical SMILES for azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium is N.O=C(COc1ccc(C[N+]([O-])=NO)cc1)NN=Cc1cccnc1.
What is the InChIKey of azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium?
The InChIKey is LVPXTQXBCIHKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4.H3N/c21-15(18-17-9-13-2-1-7-16-8-13)11-24-14-5-3-12(4-6-14)10-20(23)19-22;/h1-9,22H,10-11H2,(H,18,21);1H3.
What are the key properties of azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium?
azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium has a molecular weight of 346.35 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium is sourced from PubChem (CID 173185304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).