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

C19H17N5O2 — CID 10831506

IUPAC3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2cccc(Oc3cccc(/C(N)=N/[H])c3)n2)c1
InChIInChI=1S/C19H17N5O2/c20-18(21)12-4-1-6-14(10-12)25-16-8-3-9-17(24-16)26-15-7-2-5-13(11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23)
InChIKeyWNTHPCMKWFKFIU-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.23
Rot. Bonds6

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

3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide (PubChem CID 10831506) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide
PubChem CID10831506
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2cccc(Oc3cccc(/C(N)=N/[H])c3)n2)c1
InChIInChI=1S/C19H17N5O2/c20-18(21)12-4-1-6-14(10-12)25-16-8-3-9-17(24-16)26-15-7-2-5-13(11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23)
InChIKeyWNTHPCMKWFKFIU-UHFFFAOYSA-N
XLogP3.23
TPSA131.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.23
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)-2-pyridinyl]oxy]benzenecarboximidamide?
The IUPAC name of 3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide (CID 10831506) is 3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide.
What is the SMILES notation for 3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide?
The canonical SMILES for 3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2cccc(Oc3cccc(/C(N)=N/[H])c3)n2)c1.
What is the InChIKey of 3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide?
The InChIKey is WNTHPCMKWFKFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-18(21)12-4-1-6-14(10-12)25-16-8-3-9-17(24-16)26-15-7-2-5-13(11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23).
What are the key properties of 3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide?
3-[[6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide has a molecular weight of 347.38 g/mol, XLogP of 3.23, 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)-2-pyridinyl]oxy]benzenecarboximidamide is sourced from PubChem (CID 10831506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).