N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide

C13H13N3O2 — CID 57368818

IUPACN'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C13H13N3O2/c14-13(16-17)11-3-5-12(6-4-11)18-9-10-2-1-7-15-8-10/h1-8,17H,9H2,(H2,14,16)
InChIKeyYMUFVUPCVBRWGE-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.76
Rot. Bonds4

About N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide

N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide (PubChem CID 57368818) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
PubChem CID57368818
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C13H13N3O2/c14-13(16-17)11-3-5-12(6-4-11)18-9-10-2-1-7-15-8-10/h1-8,17H,9H2,(H2,14,16)
InChIKeyYMUFVUPCVBRWGE-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

(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24709882
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 24706507
3-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
N'-[2-(4-fluorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877849
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
CID 102881387
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
N'-[(2-cyanophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877864

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide (CID 57368818) is N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide is NC(=NO)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is YMUFVUPCVBRWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-13(16-17)11-3-5-12(6-4-11)18-9-10-2-1-7-15-8-10/h1-8,17H,9H2,(H2,14,16).
What are the key properties of N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-4-(pyridin-3-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-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 57368818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).