2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide

C18H22FN3O3 — CID 56669023

IUPAC2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide
SMILESCOCCN(/C(=N\O)c1cccnc1Oc1ccccc1F)C(C)C
InChIInChI=1S/C18H22FN3O3/c1-13(2)22(11-12-24-3)17(21-23)14-7-6-10-20-18(14)25-16-9-5-4-8-15(16)19/h4-10,13,23H,11-12H2,1-3H3/b21-17-
InChIKeyRXIBBWMAZZBDHY-FXBPSFAMSA-N
MW347.39 g/mol
LogP3.51
Rot. Bonds7

About 2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide

2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide (PubChem CID 56669023) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide
PubChem CID56669023
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide
SMILESCOCCN(/C(=N\O)c1cccnc1Oc1ccccc1F)C(C)C
InChIInChI=1S/C18H22FN3O3/c1-13(2)22(11-12-24-3)17(21-23)14-7-6-10-20-18(14)25-16-9-5-4-8-15(16)19/h4-10,13,23H,11-12H2,1-3H3/b21-17-
InChIKeyRXIBBWMAZZBDHY-FXBPSFAMSA-N
XLogP3.51
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide?
The IUPAC name of 2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide (CID 56669023) is 2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide is COCCN(/C(=N\O)c1cccnc1Oc1ccccc1F)C(C)C.
What is the InChIKey of 2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide?
The InChIKey is RXIBBWMAZZBDHY-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-13(2)22(11-12-24-3)17(21-23)14-7-6-10-20-18(14)25-16-9-5-4-8-15(16)19/h4-10,13,23H,11-12H2,1-3H3/b21-17-.
What are the key properties of 2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide?
2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide has a molecular weight of 347.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide is sourced from PubChem (CID 56669023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).