2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide

C18H22FN3O2 — CID 56658773

IUPAC2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide
SMILESCCC(C)(C)/N=C(\NO)c1ccc(C)nc1Oc1cccc(F)c1
InChIInChI=1S/C18H22FN3O2/c1-5-18(3,4)21-16(22-23)15-10-9-12(2)20-17(15)24-14-8-6-7-13(19)11-14/h6-11,23H,5H2,1-4H3,(H,21,22)
InChIKeyWCINRUVONFGZSS-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.24
Rot. Bonds5

About 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide

2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide (PubChem CID 56658773) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide
PubChem CID56658773
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide
SMILESCCC(C)(C)/N=C(\NO)c1ccc(C)nc1Oc1cccc(F)c1
InChIInChI=1S/C18H22FN3O2/c1-5-18(3,4)21-16(22-23)15-10-9-12(2)20-17(15)24-14-8-6-7-13(19)11-14/h6-11,23H,5H2,1-4H3,(H,21,22)
InChIKeyWCINRUVONFGZSS-UHFFFAOYSA-N
XLogP4.24
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide (CID 56658773) is 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide is CCC(C)(C)/N=C(\NO)c1ccc(C)nc1Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide?
The InChIKey is WCINRUVONFGZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-5-18(3,4)21-16(22-23)15-10-9-12(2)20-17(15)24-14-8-6-7-13(19)11-14/h6-11,23H,5H2,1-4H3,(H,21,22).
What are the key properties of 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide?
2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide has a molecular weight of 331.39 g/mol, XLogP of 4.24, 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-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 56658773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).