N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide

C17H19FN4O — CID 70511244

IUPACN'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide
SMILESCn1ccccc1=N/C(=N/c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H19FN4O/c1-21-9-3-2-4-16(21)20-17(22-10-12-23-13-11-22)19-15-7-5-14(18)6-8-15/h2-9H,10-13H2,1H3/b19-17-,20-16?
InChIKeySLUHZPQENSFXQP-DVABWDFBSA-N
MW314.36 g/mol
LogP2.08
Rot. Bonds1

About N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide

N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide (PubChem CID 70511244) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide
PubChem CID70511244
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide
SMILESCn1ccccc1=N/C(=N/c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H19FN4O/c1-21-9-3-2-4-16(21)20-17(22-10-12-23-13-11-22)19-15-7-5-14(18)6-8-15/h2-9H,10-13H2,1H3/b19-17-,20-16?
InChIKeySLUHZPQENSFXQP-DVABWDFBSA-N
XLogP2.08
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide
CID 70512126
N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 54480757
(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 66630041
CID 146162313
CID 146162313
(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 23459640
N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
CID 70567672
N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54126746
N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54319746
N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119146669
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine
CID 1020625
N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70531275

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide?
The IUPAC name of N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide (CID 70511244) is N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide is Cn1ccccc1=N/C(=N/c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide?
The InChIKey is SLUHZPQENSFXQP-DVABWDFBSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-21-9-3-2-4-16(21)20-17(22-10-12-23-13-11-22)19-15-7-5-14(18)6-8-15/h2-9H,10-13H2,1H3/b19-17-,20-16?.
What are the key properties of N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide?
N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide has a molecular weight of 314.36 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide is sourced from PubChem (CID 70511244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).