2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide

C26H28N4O3 — CID 56668867

IUPAC2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/CCC2CCCN2C)NO)c(Oc2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C26H28N4O3/c1-17-9-11-21(25(29-31)27-14-13-18-6-5-15-30(18)2)26(28-17)32-19-10-12-24-22(16-19)20-7-3-4-8-23(20)33-24/h3-4,7-12,16,18,31H,5-6,13-15H2,1-2H3,(H,27,29)
InChIKeyHQWJUCAHVRKRPP-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.29
Rot. Bonds6

About 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide

2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide (PubChem CID 56668867) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide
PubChem CID56668867
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/CCC2CCCN2C)NO)c(Oc2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C26H28N4O3/c1-17-9-11-21(25(29-31)27-14-13-18-6-5-15-30(18)2)26(28-17)32-19-10-12-24-22(16-19)20-7-3-4-8-23(20)33-24/h3-4,7-12,16,18,31H,5-6,13-15H2,1-2H3,(H,27,29)
InChIKeyHQWJUCAHVRKRPP-UHFFFAOYSA-N
XLogP5.29
TPSA83.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.29
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 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide?
The IUPAC name of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide (CID 56668867) is 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide.
What is the SMILES notation for 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide?
The canonical SMILES for 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide is Cc1ccc(/C(=N/CCC2CCCN2C)NO)c(Oc2ccc3oc4ccccc4c3c2)n1.
What is the InChIKey of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide?
The InChIKey is HQWJUCAHVRKRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-17-9-11-21(25(29-31)27-14-13-18-6-5-15-30(18)2)26(28-17)32-19-10-12-24-22(16-19)20-7-3-4-8-23(20)33-24/h3-4,7-12,16,18,31H,5-6,13-15H2,1-2H3,(H,27,29).
What are the key properties of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide?
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide has a molecular weight of 444.54 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide is sourced from PubChem (CID 56668867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).