N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide

C14H15N3O2 — CID 24703645

IUPACN'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
SMILESN/C(Cc1ccc(OCc2ccccn2)cc1)=N\O
InChIInChI=1S/C14H15N3O2/c15-14(17-18)9-11-4-6-13(7-5-11)19-10-12-3-1-2-8-16-12/h1-8,18H,9-10H2,(H2,15,17)
InChIKeyURQZPOPCKXZVKY-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.95
Rot. Bonds5

About N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide

N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide (PubChem CID 24703645) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
PubChem CID24703645
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
SMILESN/C(Cc1ccc(OCc2ccccn2)cc1)=N\O
InChIInChI=1S/C14H15N3O2/c15-14(17-18)9-11-4-6-13(7-5-11)19-10-12-3-1-2-8-16-12/h1-8,18H,9-10H2,(H2,15,17)
InChIKeyURQZPOPCKXZVKY-UHFFFAOYSA-N
XLogP1.95
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.95
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

N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24698261
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
CID 117095285
2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid
CID 101045266
1-tert-butyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111047656
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 105371860
N'-hydroxy-2-phenylethanimidamide
CID 6074309
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide (CID 24703645) is N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide is N/C(Cc1ccc(OCc2ccccn2)cc1)=N\O.
What is the InChIKey of N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide?
The InChIKey is URQZPOPCKXZVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-14(17-18)9-11-4-6-13(7-5-11)19-10-12-3-1-2-8-16-12/h1-8,18H,9-10H2,(H2,15,17).
What are the key properties of N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide?
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide has a molecular weight of 257.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 24703645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).