2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide

C20H17F2N3O2 — CID 56658218

IUPAC2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/Cc2ccccc2F)NO)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C20H17F2N3O2/c1-13-9-10-17(20(24-13)27-16-7-4-6-15(21)11-16)19(25-26)23-12-14-5-2-3-8-18(14)22/h2-11,26H,12H2,1H3,(H,23,25)
InChIKeyKDEFOHYDFNXHGI-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.39
Rot. Bonds5

About 2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide

2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 56658218) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID56658218
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/Cc2ccccc2F)NO)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C20H17F2N3O2/c1-13-9-10-17(20(24-13)27-16-7-4-6-15(21)11-16)19(25-26)23-12-14-5-2-3-8-18(14)22/h2-11,26H,12H2,1H3,(H,23,25)
InChIKeyKDEFOHYDFNXHGI-UHFFFAOYSA-N
XLogP4.39
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.39
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide (CID 56658218) is 2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(=N/Cc2ccccc2F)NO)c(Oc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is KDEFOHYDFNXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-13-9-10-17(20(24-13)27-16-7-4-6-15(21)11-16)19(25-26)23-12-14-5-2-3-8-18(14)22/h2-11,26H,12H2,1H3,(H,23,25).
What are the key properties of 2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide?
2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 369.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 56658218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).