N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide

C13H13N3O2 — CID 24698261

IUPACN'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C13H13N3O2/c14-13(16-17)10-4-6-12(7-5-10)18-9-11-3-1-2-8-15-11/h1-8,17H,9H2,(H2,14,16)
InChIKeyHTDABCBVBOLQPW-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.76
Rot. Bonds4

About N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide

N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide (PubChem CID 24698261) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
PubChem CID24698261
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C13H13N3O2/c14-13(16-17)10-4-6-12(7-5-10)18-9-11-3-1-2-8-15-11/h1-8,17H,9H2,(H2,14,16)
InChIKeyHTDABCBVBOLQPW-UHFFFAOYSA-N
XLogP1.76
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.76
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
N'-hydroxy-4-[(2-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76917582
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
2-(pyridin-1-ium-4-yloxymethyl)pyridine
CID 59293395
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 43188231
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide (CID 24698261) is N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide is N/C(=N\O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is HTDABCBVBOLQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-13(16-17)10-4-6-12(7-5-10)18-9-11-3-1-2-8-15-11/h1-8,17H,9H2,(H2,14,16).
What are the key properties of N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide has a molecular weight of 243.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 24698261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).