2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine

C16H17N5O — CID 15049808

IUPAC2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine
SMILESNC(N)=N/N=C/COc1cccnc1/C=C/c1ccccc1
InChIInChI=1S/C16H17N5O/c17-16(18)21-20-11-12-22-15-7-4-10-19-14(15)9-8-13-5-2-1-3-6-13/h1-11H,12H2,(H4,17,18,21)/b9-8+,20-11+
InChIKeyVEOSLGHKNGBHJB-XCUBKUTJSA-N
MW295.35 g/mol
LogP1.89
Rot. Bonds6

About 2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine

2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine (PubChem CID 15049808) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine
PubChem CID15049808
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine
SMILESNC(N)=N/N=C/COc1cccnc1/C=C/c1ccccc1
InChIInChI=1S/C16H17N5O/c17-16(18)21-20-11-12-22-15-7-4-10-19-14(15)9-8-13-5-2-1-3-6-13/h1-11H,12H2,(H4,17,18,21)/b9-8+,20-11+
InChIKeyVEOSLGHKNGBHJB-XCUBKUTJSA-N
XLogP1.89
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[3-[(2E)-2-(diaminomethylidenehydrazinylidene)ethoxy]-2-pyridinyl]ethenyl]benzoic acid
CID 15049810
[2-[(E)-2-phenylethenyl]-3-pyridinyl] cyanate
CID 139651849
(NE)-N-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]methylidene]hydroxylamine
CID 162652329
[2-(2-phenylethenyl)-3-pyridinyl]methanol
CID 131881267
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
8-[(E)-3-phenylprop-2-enoxy]quinoline
CID 66545724
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate
CID 67659568
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
2-(3-phenylpropylideneamino)guanidine
CID 5053229
2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591058
2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
CID 54609066

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine (CID 15049808) is 2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine is NC(N)=N/N=C/COc1cccnc1/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine?
The InChIKey is VEOSLGHKNGBHJB-XCUBKUTJSA-N. The full InChI is InChI=1S/C16H17N5O/c17-16(18)21-20-11-12-22-15-7-4-10-19-14(15)9-8-13-5-2-1-3-6-13/h1-11H,12H2,(H4,17,18,21)/b9-8+,20-11+.
What are the key properties of 2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine?
2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine has a molecular weight of 295.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethylideneamino]guanidine is sourced from PubChem (CID 15049808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).