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

C14H15N3O3 — CID 24706507

IUPACN'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESCOc1cc(/C(N)=N/O)ccc1OCc1cccnc1
InChIInChI=1S/C14H15N3O3/c1-19-13-7-11(14(15)17-18)4-5-12(13)20-9-10-3-2-6-16-8-10/h2-8,18H,9H2,1H3,(H2,15,17)
InChIKeyMXMMXUQQBJCUET-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.76
Rot. Bonds5

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

N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide (PubChem CID 24706507) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
PubChem CID24706507
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESCOc1cc(/C(N)=N/O)ccc1OCc1cccnc1
InChIInChI=1S/C14H15N3O3/c1-19-13-7-11(14(15)17-18)4-5-12(13)20-9-10-3-2-6-16-8-10/h2-8,18H,9H2,1H3,(H2,15,17)
InChIKeyMXMMXUQQBJCUET-UHFFFAOYSA-N
XLogP1.76
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.76
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682612
N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646207
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide (CID 24706507) is N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide is COc1cc(/C(N)=N/O)ccc1OCc1cccnc1.
What is the InChIKey of N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is MXMMXUQQBJCUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-13-7-11(14(15)17-18)4-5-12(13)20-9-10-3-2-6-16-8-10/h2-8,18H,9H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 273.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 24706507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).