N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide

C19H16FN3O2 — CID 60591206

IUPACN'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide
SMILESN/C(=N/OCc1ccc(F)cc1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C19H16FN3O2/c20-16-9-6-14(7-10-16)13-24-23-19(21)15-8-11-18(22-12-15)25-17-4-2-1-3-5-17/h1-12H,13H2,(H2,21,23)
InChIKeyVCBCUVQJUCULQT-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.85
Rot. Bonds6

About N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide

N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide (PubChem CID 60591206) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide
PubChem CID60591206
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide
SMILESN/C(=N/OCc1ccc(F)cc1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C19H16FN3O2/c20-16-9-6-14(7-10-16)13-24-23-19(21)15-8-11-18(22-12-15)25-17-4-2-1-3-5-17/h1-12H,13H2,(H2,21,23)
InChIKeyVCBCUVQJUCULQT-UHFFFAOYSA-N
XLogP3.85
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.85
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295
N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591183
6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide
CID 52787632
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
CID 76870993
6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide
CID 97201727
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide
CID 75264488
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 23551915

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide?
The IUPAC name of N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide (CID 60591206) is N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide?
The canonical SMILES for N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide is N/C(=N/OCc1ccc(F)cc1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide?
The InChIKey is VCBCUVQJUCULQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-16-9-6-14(7-10-16)13-24-23-19(21)15-8-11-18(22-12-15)25-17-4-2-1-3-5-17/h1-12H,13H2,(H2,21,23).
What are the key properties of N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide?
N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide has a molecular weight of 337.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide is sourced from PubChem (CID 60591206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).