6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide

C24H19N3O4 — CID 56665436

IUPAC6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
SMILESCc1ccc(C/N=C(\NO)c2ccc(Oc3ccc4oc5ccccc5c4c3)nc2)o1
InChIInChI=1S/C24H19N3O4/c1-15-6-8-18(29-15)14-26-24(27-28)16-7-11-23(25-13-16)30-17-9-10-22-20(12-17)19-4-2-3-5-21(19)31-22/h2-13,28H,14H2,1H3,(H,26,27)
InChIKeyPAAZSJZKVXVECD-UHFFFAOYSA-N
MW413.43 g/mol
LogP5.60
Rot. Bonds5

About 6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide

6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide (PubChem CID 56665436) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
PubChem CID56665436
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
SMILESCc1ccc(C/N=C(\NO)c2ccc(Oc3ccc4oc5ccccc5c4c3)nc2)o1
InChIInChI=1S/C24H19N3O4/c1-15-6-8-18(29-15)14-26-24(27-28)16-7-11-23(25-13-16)30-17-9-10-22-20(12-17)19-4-2-3-5-21(19)31-22/h2-13,28H,14H2,1H3,(H,26,27)
InChIKeyPAAZSJZKVXVECD-UHFFFAOYSA-N
XLogP5.60
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide?
The IUPAC name of 6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide (CID 56665436) is 6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide?
The canonical SMILES for 6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide is Cc1ccc(C/N=C(\NO)c2ccc(Oc3ccc4oc5ccccc5c4c3)nc2)o1.
What is the InChIKey of 6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide?
The InChIKey is PAAZSJZKVXVECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-15-6-8-18(29-15)14-26-24(27-28)16-7-11-23(25-13-16)30-17-9-10-22-20(12-17)19-4-2-3-5-21(19)31-22/h2-13,28H,14H2,1H3,(H,26,27).
What are the key properties of 6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide?
6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide has a molecular weight of 413.43 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide is sourced from PubChem (CID 56665436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).