2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide

C17H20FN3O2 — CID 56658363

IUPAC2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/C(C)C)NO)c(OCc2ccccc2F)n1
InChIInChI=1S/C17H20FN3O2/c1-11(2)19-16(21-22)14-9-8-12(3)20-17(14)23-10-13-6-4-5-7-15(13)18/h4-9,11,22H,10H2,1-3H3,(H,19,21)
InChIKeyLFOKTLDBTICABW-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.24
Rot. Bonds5

About 2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide

2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide (PubChem CID 56658363) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide
PubChem CID56658363
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/C(C)C)NO)c(OCc2ccccc2F)n1
InChIInChI=1S/C17H20FN3O2/c1-11(2)19-16(21-22)14-9-8-12(3)20-17(14)23-10-13-6-4-5-7-15(13)18/h4-9,11,22H,10H2,1-3H3,(H,19,21)
InChIKeyLFOKTLDBTICABW-UHFFFAOYSA-N
XLogP3.24
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.24
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-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide (CID 56658363) is 2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide is Cc1ccc(/C(=N/C(C)C)NO)c(OCc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide?
The InChIKey is LFOKTLDBTICABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11(2)19-16(21-22)14-9-8-12(3)20-17(14)23-10-13-6-4-5-7-15(13)18/h4-9,11,22H,10H2,1-3H3,(H,19,21).
What are the key properties of 2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide?
2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide has a molecular weight of 317.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide is sourced from PubChem (CID 56658363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).