N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide

C14H15N3O2 — CID 102881387

IUPACN'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
SMILESCc1cncc(COc2ccc(/C(N)=N/O)cc2)c1
InChIInChI=1S/C14H15N3O2/c1-10-6-11(8-16-7-10)9-19-13-4-2-12(3-5-13)14(15)17-18/h2-8,18H,9H2,1H3,(H2,15,17)
InChIKeyCADGXLZFXZVENO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.06
Rot. Bonds4

About N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide

N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide (PubChem CID 102881387) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
PubChem CID102881387
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
SMILESCc1cncc(COc2ccc(/C(N)=N/O)cc2)c1
InChIInChI=1S/C14H15N3O2/c1-10-6-11(8-16-7-10)9-19-13-4-2-12(3-5-13)14(15)17-18/h2-8,18H,9H2,1H3,(H2,15,17)
InChIKeyCADGXLZFXZVENO-UHFFFAOYSA-N
XLogP2.06
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.06
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-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028751
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
4-[(5-bromo-3-pyridinyl)oxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77022595
[5-[(5-methyl-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 102880469
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030
4-[(3,5-dimethylphenyl)methoxy]benzenecarbothioamide
CID 54911327
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 102881330
N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102880495

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide (CID 102881387) is N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide is Cc1cncc(COc2ccc(/C(N)=N/O)cc2)c1.
What is the InChIKey of N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide?
The InChIKey is CADGXLZFXZVENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-6-11(8-16-7-10)9-19-13-4-2-12(3-5-13)14(15)17-18/h2-8,18H,9H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide?
N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide has a molecular weight of 257.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 102881387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).