N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide

C15H17N3O2 — CID 76946444

IUPACN'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
SMILESCCCc1ccc(Oc2ccc(C(N)=NO)cn2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-3-11-4-7-13(8-5-11)20-14-9-6-12(10-17-14)15(16)18-19/h4-10,19H,2-3H2,1H3,(H2,16,18)
InChIKeyDMMZKZQHIVJJMK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.92
Rot. Bonds5

About N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide

N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide (PubChem CID 76946444) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
PubChem CID76946444
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
SMILESCCCc1ccc(Oc2ccc(C(N)=NO)cn2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-3-11-4-7-13(8-5-11)20-14-9-6-12(10-17-14)15(16)18-19/h4-10,19H,2-3H2,1H3,(H2,16,18)
InChIKeyDMMZKZQHIVJJMK-UHFFFAOYSA-N
XLogP2.92
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.92
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-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide
CID 43807024
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415
6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide
CID 107708868
N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
CID 102982006
6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82716185
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
CID 43128332
N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708950
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide
CID 43352096
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
N-hydroxy-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415304

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide (CID 76946444) is N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide is CCCc1ccc(Oc2ccc(C(N)=NO)cn2)cc1.
What is the InChIKey of N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide?
The InChIKey is DMMZKZQHIVJJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-3-11-4-7-13(8-5-11)20-14-9-6-12(10-17-14)15(16)18-19/h4-10,19H,2-3H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide?
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 76946444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).