2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide

C24H19N3O3S — CID 56679439

IUPAC2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/Cc2cccs2)NO)c(Oc2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C24H19N3O3S/c1-15-8-10-19(23(27-28)25-14-17-5-4-12-31-17)24(26-15)29-16-9-11-22-20(13-16)18-6-2-3-7-21(18)30-22/h2-13,28H,14H2,1H3,(H,25,27)
InChIKeyDDKFRVKBFHUBCL-UHFFFAOYSA-N
MW429.50 g/mol
LogP6.07
Rot. Bonds5

About 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide

2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide (PubChem CID 56679439) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
PubChem CID56679439
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC Name2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/Cc2cccs2)NO)c(Oc2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C24H19N3O3S/c1-15-8-10-19(23(27-28)25-14-17-5-4-12-31-17)24(26-15)29-16-9-11-22-20(13-16)18-6-2-3-7-21(18)30-22/h2-13,28H,14H2,1H3,(H,25,27)
InChIKeyDDKFRVKBFHUBCL-UHFFFAOYSA-N
XLogP6.07
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 56.07
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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Related Compounds

N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56676193
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide
CID 56665143
N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56672920
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide
CID 56668867
N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide
CID 56682339
6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
CID 56665436
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
CID 56682573
N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56658619
2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56671972
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole
CID 153433499

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide (CID 56679439) is 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide is Cc1ccc(/C(=N/Cc2cccs2)NO)c(Oc2ccc3oc4ccccc4c3c2)n1.
What is the InChIKey of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide?
The InChIKey is DDKFRVKBFHUBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-15-8-10-19(23(27-28)25-14-17-5-4-12-31-17)24(26-15)29-16-9-11-22-20(13-16)18-6-2-3-7-21(18)30-22/h2-13,28H,14H2,1H3,(H,25,27).
What are the key properties of 2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide?
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide has a molecular weight of 429.50 g/mol, XLogP of 6.07, 5 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'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 56679439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).