N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide

C20H18FN3O2 — CID 60602599

IUPACN'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N/OCc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C20H18FN3O2/c21-18-7-3-15(4-8-18)14-26-24-20(22)17-5-9-19(10-6-17)25-13-16-2-1-11-23-12-16/h1-12H,13-14H2,(H2,22,24)
InChIKeyTZWITWOVSNJTNL-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.64
Rot. Bonds7

About N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide

N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide (PubChem CID 60602599) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
PubChem CID60602599
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N/OCc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C20H18FN3O2/c21-18-7-3-15(4-8-18)14-26-24-20(22)17-5-9-19(10-6-17)25-13-16-2-1-11-23-12-16/h1-12H,13-14H2,(H2,22,24)
InChIKeyTZWITWOVSNJTNL-UHFFFAOYSA-N
XLogP3.64
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.64
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

N'-[2-(4-fluorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877849
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
N'-[(2-cyanophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877864
N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 155968174
N'-[2-(3-chlorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 52502341
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591206
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 99085781
N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 75264625
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
CID 76870993

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide (CID 60602599) is N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide is N/C(=N/OCc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is TZWITWOVSNJTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-18-7-3-15(4-8-18)14-26-24-20(22)17-5-9-19(10-6-17)25-13-16-2-1-11-23-12-16/h1-12H,13-14H2,(H2,22,24).
What are the key properties of N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 351.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 60602599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).