N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide

C14H15N3O3 — CID 77014500

IUPACN'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide
SMILESCOc1cccc(COc2ccccc2C(N)=NO)n1
InChIInChI=1S/C14H15N3O3/c1-19-13-8-4-5-10(16-13)9-20-12-7-3-2-6-11(12)14(15)17-18/h2-8,18H,9H2,1H3,(H2,15,17)
InChIKeyRCBGGGCWRUYNIU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.76
Rot. Bonds5

About N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide

N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide (PubChem CID 77014500) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide
PubChem CID77014500
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide
SMILESCOc1cccc(COc2ccccc2C(N)=NO)n1
InChIInChI=1S/C14H15N3O3/c1-19-13-8-4-5-10(16-13)9-20-12-7-3-2-6-11(12)14(15)17-18/h2-8,18H,9H2,1H3,(H2,15,17)
InChIKeyRCBGGGCWRUYNIU-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

2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
3-methoxy-4-[(6-methoxy-2-pyridinyl)methoxy]benzenecarbothioamide
CID 63986880
2-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028883
5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 63984897
1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
CID 63984894
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
CID 63993109
2-[(6-methoxy-2-pyridinyl)methoxy]-4-methylaniline
CID 63991349
5-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63990956
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide (CID 77014500) is N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide is COc1cccc(COc2ccccc2C(N)=NO)n1.
What is the InChIKey of N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide?
The InChIKey is RCBGGGCWRUYNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-13-8-4-5-10(16-13)9-20-12-7-3-2-6-11(12)14(15)17-18/h2-8,18H,9H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide?
N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]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-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 77014500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).