2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide

C17H20FN3O3 — CID 56682110

IUPAC2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide
SMILESCOCC(C)/N=C(\NO)c1cccnc1OCc1ccccc1F
InChIInChI=1S/C17H20FN3O3/c1-12(10-23-2)20-16(21-22)14-7-5-9-19-17(14)24-11-13-6-3-4-8-15(13)18/h3-9,12,22H,10-11H2,1-2H3,(H,20,21)
InChIKeyMKHRSGKCJWJSRA-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.56
Rot. Bonds7

About 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide

2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide (PubChem CID 56682110) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide
PubChem CID56682110
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide
SMILESCOCC(C)/N=C(\NO)c1cccnc1OCc1ccccc1F
InChIInChI=1S/C17H20FN3O3/c1-12(10-23-2)20-16(21-22)14-7-5-9-19-17(14)24-11-13-6-3-4-8-15(13)18/h3-9,12,22H,10-11H2,1-2H3,(H,20,21)
InChIKeyMKHRSGKCJWJSRA-UHFFFAOYSA-N
XLogP2.56
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
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': '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-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide (CID 56682110) is 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide is COCC(C)/N=C(\NO)c1cccnc1OCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide?
The InChIKey is MKHRSGKCJWJSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-12(10-23-2)20-16(21-22)14-7-5-9-19-17(14)24-11-13-6-3-4-8-15(13)18/h3-9,12,22H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide?
2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide has a molecular weight of 333.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 56682110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).