N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide

C20H24FN3O2 — CID 56658608

IUPACN-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide
SMILESCN(/C(=N\O)c1cccnc1OCc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C20H24FN3O2/c1-24(17-9-3-2-4-10-17)19(23-25)18-11-6-12-22-20(18)26-14-15-7-5-8-16(21)13-15/h5-8,11-13,17,25H,2-4,9-10,14H2,1H3/b23-19-
InChIKeyGEBWLOWBQMNMDG-NMWGTECJSA-N
MW357.43 g/mol
LogP4.20
Rot. Bonds5

About N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide

N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide (PubChem CID 56658608) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide
PubChem CID56658608
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide
SMILESCN(/C(=N\O)c1cccnc1OCc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C20H24FN3O2/c1-24(17-9-3-2-4-10-17)19(23-25)18-11-6-12-22-20(18)26-14-15-7-5-8-16(21)13-15/h5-8,11-13,17,25H,2-4,9-10,14H2,1H3/b23-19-
InChIKeyGEBWLOWBQMNMDG-NMWGTECJSA-N
XLogP4.20
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
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': '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 N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide?
The IUPAC name of N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide (CID 56658608) is N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide.
What is the SMILES notation for N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide?
The canonical SMILES for N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide is CN(/C(=N\O)c1cccnc1OCc1cccc(F)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide?
The InChIKey is GEBWLOWBQMNMDG-NMWGTECJSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-24(17-9-3-2-4-10-17)19(23-25)18-11-6-12-22-20(18)26-14-15-7-5-8-16(21)13-15/h5-8,11-13,17,25H,2-4,9-10,14H2,1H3/b23-19-.
What are the key properties of N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide?
N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide has a molecular weight of 357.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide is sourced from PubChem (CID 56658608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).