N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide

C21H20FN3O3 — CID 60591183

IUPACN'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide
SMILESN/C(=N/OCCCOc1ccc(F)cc1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C21H20FN3O3/c22-17-8-10-18(11-9-17)26-13-4-14-27-25-21(23)16-7-12-20(24-15-16)28-19-5-2-1-3-6-19/h1-3,5-12,15H,4,13-14H2,(H2,23,25)
InChIKeyWNCBRFPXKQGITE-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.12
Rot. Bonds9

About N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide

N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide (PubChem CID 60591183) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide
PubChem CID60591183
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide
SMILESN/C(=N/OCCCOc1ccc(F)cc1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C21H20FN3O3/c22-17-8-10-18(11-9-17)26-13-4-14-27-25-21(23)16-7-12-20(24-15-16)28-19-5-2-1-3-6-19/h1-3,5-12,15H,4,13-14H2,(H2,23,25)
InChIKeyWNCBRFPXKQGITE-UHFFFAOYSA-N
XLogP4.12
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide
CID 52787632
6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295
6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide
CID 60604264
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
N'-[2-(4-fluorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877849
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid
CID 117067931
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
CID 76870993

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide?
The IUPAC name of N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide (CID 60591183) is N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide.
What is the SMILES notation for N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide?
The canonical SMILES for N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide is N/C(=N/OCCCOc1ccc(F)cc1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide?
The InChIKey is WNCBRFPXKQGITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-17-8-10-18(11-9-17)26-13-4-14-27-25-21(23)16-7-12-20(24-15-16)28-19-5-2-1-3-6-19/h1-3,5-12,15H,4,13-14H2,(H2,23,25).
What are the key properties of N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide?
N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide has a molecular weight of 381.41 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide is sourced from PubChem (CID 60591183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).