2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide

C22H22FN3O3 — CID 56672502

IUPAC2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
SMILESCOc1ccccc1C/N=C(\NO)c1ccc(C)nc1OCc1ccccc1F
InChIInChI=1S/C22H22FN3O3/c1-15-11-12-18(22(25-15)29-14-17-8-3-5-9-19(17)23)21(26-27)24-13-16-7-4-6-10-20(16)28-2/h3-12,27H,13-14H2,1-2H3,(H,24,26)
InChIKeyXFBFDELYUWQIKP-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.04
Rot. Bonds7

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

2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide (PubChem CID 56672502) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
PubChem CID56672502
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
SMILESCOc1ccccc1C/N=C(\NO)c1ccc(C)nc1OCc1ccccc1F
InChIInChI=1S/C22H22FN3O3/c1-15-11-12-18(22(25-15)29-14-17-8-3-5-9-19(17)23)21(26-27)24-13-16-7-4-6-10-20(16)28-2/h3-12,27H,13-14H2,1-2H3,(H,24,26)
InChIKeyXFBFDELYUWQIKP-UHFFFAOYSA-N
XLogP4.04
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.04
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'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide (CID 56672502) is 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide is COc1ccccc1C/N=C(\NO)c1ccc(C)nc1OCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide?
The InChIKey is XFBFDELYUWQIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15-11-12-18(22(25-15)29-14-17-8-3-5-9-19(17)23)21(26-27)24-13-16-7-4-6-10-20(16)28-2/h3-12,27H,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide?
2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide has a molecular weight of 395.43 g/mol, XLogP of 4.04, 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'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 56672502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).