2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide

C18H22FN3O2 — CID 56658602

IUPAC2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide
SMILESCCC(CC)/N=C(\NO)c1ccc(C)nc1Oc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/c1-4-14(5-2)21-17(22-23)16-11-6-12(3)20-18(16)24-15-9-7-13(19)8-10-15/h6-11,14,23H,4-5H2,1-3H3,(H,21,22)
InChIKeyDYHOBMUOOYFUAE-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.24
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide

2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide (PubChem CID 56658602) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide
PubChem CID56658602
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide
SMILESCCC(CC)/N=C(\NO)c1ccc(C)nc1Oc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/c1-4-14(5-2)21-17(22-23)16-11-6-12(3)20-18(16)24-15-9-7-13(19)8-10-15/h6-11,14,23H,4-5H2,1-3H3,(H,21,22)
InChIKeyDYHOBMUOOYFUAE-UHFFFAOYSA-N
XLogP4.24
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.24
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-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide (CID 56658602) is 2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide is CCC(CC)/N=C(\NO)c1ccc(C)nc1Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide?
The InChIKey is DYHOBMUOOYFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-4-14(5-2)21-17(22-23)16-11-6-12(3)20-18(16)24-15-9-7-13(19)8-10-15/h6-11,14,23H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide?
2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide has a molecular weight of 331.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide is sourced from PubChem (CID 56658602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).