N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide

C18H20FN3O2 — CID 56665012

IUPACN'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/C2CCCC2)NO)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C18H20FN3O2/c1-12-9-10-16(17(22-23)21-14-6-2-3-7-14)18(20-12)24-15-8-4-5-13(19)11-15/h4-5,8-11,14,23H,2-3,6-7H2,1H3,(H,21,22)
InChIKeyRJHILCZHODPSEC-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.99
Rot. Bonds4

About N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide

N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 56665012) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID56665012
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/C2CCCC2)NO)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C18H20FN3O2/c1-12-9-10-16(17(22-23)21-14-6-2-3-7-14)18(20-12)24-15-8-4-5-13(19)11-15/h4-5,8-11,14,23H,2-3,6-7H2,1H3,(H,21,22)
InChIKeyRJHILCZHODPSEC-UHFFFAOYSA-N
XLogP3.99
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.99
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 N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide (CID 56665012) is N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(=N/C2CCCC2)NO)c(Oc2cccc(F)c2)n1.
What is the InChIKey of N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is RJHILCZHODPSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-9-10-16(17(22-23)21-14-6-2-3-7-14)18(20-12)24-15-8-4-5-13(19)11-15/h4-5,8-11,14,23H,2-3,6-7H2,1H3,(H,21,22).
What are the key properties of N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide?
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 329.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 56665012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).