N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide

C18H16N4O2 — CID 56677223

IUPACN-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1cccnc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-22-17(21-13-14-6-4-10-19-12-14)16-9-5-11-20-18(16)24-15-7-2-1-3-8-15/h1-12,23H,13H2,(H,21,22)
InChIKeyQGOWOODDFXZUQZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.19
Rot. Bonds5

About N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide

N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide (PubChem CID 56677223) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide
PubChem CID56677223
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1cccnc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-22-17(21-13-14-6-4-10-19-12-14)16-9-5-11-20-18(16)24-15-7-2-1-3-8-15/h1-12,23H,13H2,(H,21,22)
InChIKeyQGOWOODDFXZUQZ-UHFFFAOYSA-N
XLogP3.19
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide
CID 56673227
2-(4-chlorophenoxy)-N-hydroxy-N'-(pyridin-2-ylmethyl)pyridine-3-carboximidamide
CID 56679059
N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide
CID 56679484
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
N-(2-benzylpyrazol-3-yl)-2-phenoxypyridine-3-carboxamide
CID 8890850
2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide
CID 55889564
N'-benzyl-N-cyanopyridine-3-carboximidamide
CID 10105525
3-benzyl-1,1-dimethyl-2-(pyridin-3-ylmethyl)guanidine
CID 111023402
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
CID 76870993
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide
CID 54404676

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide (CID 56677223) is N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide is ON/C(=N\Cc1cccnc1)c1cccnc1Oc1ccccc1.
What is the InChIKey of N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide?
The InChIKey is QGOWOODDFXZUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-22-17(21-13-14-6-4-10-19-12-14)16-9-5-11-20-18(16)24-15-7-2-1-3-8-15/h1-12,23H,13H2,(H,21,22).
What are the key properties of N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide?
N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide has a molecular weight of 320.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenoxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 56677223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).