6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide

C21H18FN3O2 — CID 52787632

IUPAC6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide
SMILESN/C(=N\OC/C=C/c1ccccc1)c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C21H18FN3O2/c22-18-9-11-19(12-10-18)27-20-13-8-17(15-24-20)21(23)25-26-14-4-7-16-5-2-1-3-6-16/h1-13,15H,14H2,(H2,23,25)/b7-4+
InChIKeyYKEPBUWZBMCVMX-QPJJXVBHSA-N
MW363.39 g/mol
LogP4.36
Rot. Bonds7

About 6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide

6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide (PubChem CID 52787632) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide
PubChem CID52787632
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide
SMILESN/C(=N\OC/C=C/c1ccccc1)c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C21H18FN3O2/c22-18-9-11-19(12-10-18)27-20-13-8-17(15-24-20)21(23)25-26-14-4-7-16-5-2-1-3-6-16/h1-13,15H,14H2,(H2,23,25)/b7-4+
InChIKeyYKEPBUWZBMCVMX-QPJJXVBHSA-N
XLogP4.36
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591206
N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591183
6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295
2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide
CID 75264488
6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide
CID 97201727
(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 21287966
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
CID 91297497
1-[6-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methylphenyl)methoxy]methanimine
CID 3784688
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82716185
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide?
The IUPAC name of 6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide (CID 52787632) is 6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide?
The canonical SMILES for 6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide is N/C(=N\OC/C=C/c1ccccc1)c1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide?
The InChIKey is YKEPBUWZBMCVMX-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-18-9-11-19(12-10-18)27-20-13-8-17(15-24-20)21(23)25-26-14-4-7-16-5-2-1-3-6-16/h1-13,15H,14H2,(H2,23,25)/b7-4+.
What are the key properties of 6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide?
6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide has a molecular weight of 363.39 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 52787632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).