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

C19H18N6O2 — CID 10642387

IUPAC3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccc(N)c(Oc3cccc(/C(N)=N/[H])c3)n2)c1
InChIInChI=1S/C19H18N6O2/c20-15-7-8-16(26-13-5-1-3-11(9-13)17(21)22)25-19(15)27-14-6-2-4-12(10-14)18(23)24/h1-10H,20H2,(H3,21,22)(H3,23,24)
InChIKeyQQSLTWQLYHGECT-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.82
Rot. Bonds6

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

3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide (PubChem CID 10642387) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide
PubChem CID10642387
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccc(N)c(Oc3cccc(/C(N)=N/[H])c3)n2)c1
InChIInChI=1S/C19H18N6O2/c20-15-7-8-16(26-13-5-1-3-11(9-13)17(21)22)25-19(15)27-14-6-2-4-12(10-14)18(23)24/h1-10H,20H2,(H3,21,22)(H3,23,24)
InChIKeyQQSLTWQLYHGECT-UHFFFAOYSA-N
XLogP2.82
TPSA157.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide?
The IUPAC name of 3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide (CID 10642387) is 3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide.
What is the SMILES notation for 3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide?
The canonical SMILES for 3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2ccc(N)c(Oc3cccc(/C(N)=N/[H])c3)n2)c1.
What is the InChIKey of 3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide?
The InChIKey is QQSLTWQLYHGECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c20-15-7-8-16(26-13-5-1-3-11(9-13)17(21)22)25-19(15)27-14-6-2-4-12(10-14)18(23)24/h1-10H,20H2,(H3,21,22)(H3,23,24).
What are the key properties of 3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide?
3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide has a molecular weight of 362.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide is sourced from PubChem (CID 10642387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).