3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide

C19H15F2N5O2 — CID 10691360

IUPAC3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(/C(N)=N/[H])c3)c(F)cc2F)c1
InChIInChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)
InChIKeyYSBKPPPTSBMIHQ-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.51
Rot. Bonds6

About 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide

3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide (PubChem CID 10691360) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide
PubChem CID10691360
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(/C(N)=N/[H])c3)c(F)cc2F)c1
InChIInChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)
InChIKeyYSBKPPPTSBMIHQ-UHFFFAOYSA-N
XLogP3.51
TPSA131.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide?
The IUPAC name of 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide (CID 10691360) is 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide.
What is the SMILES notation for 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide?
The canonical SMILES for 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(/C(N)=N/[H])c3)c(F)cc2F)c1.
What is the InChIKey of 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide?
The InChIKey is YSBKPPPTSBMIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25).
What are the key properties of 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide?
3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide has a molecular weight of 383.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-2-pyridinyl]oxy]benzenecarboximidamide is sourced from PubChem (CID 10691360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).