N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide

C23H21N3O3 — CID 56672920

IUPACN'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N\C2CCC2)NO)c(Oc2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C23H21N3O3/c1-14-9-11-18(22(26-27)25-15-5-4-6-15)23(24-14)28-16-10-12-21-19(13-16)17-7-2-3-8-20(17)29-21/h2-3,7-13,15,27H,4-6H2,1H3,(H,25,26)
InChIKeyLHBMBZOVGSPUNJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.36
Rot. Bonds4

About N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide

N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 56672920) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID56672920
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N\C2CCC2)NO)c(Oc2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C23H21N3O3/c1-14-9-11-18(22(26-27)25-15-5-4-6-15)23(24-14)28-16-10-12-21-19(13-16)17-7-2-3-8-20(17)29-21/h2-3,7-13,15,27H,4-6H2,1H3,(H,25,26)
InChIKeyLHBMBZOVGSPUNJ-UHFFFAOYSA-N
XLogP5.36
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide
CID 56665143
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide
CID 56668867
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56679439
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679524
N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide
CID 56682339
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
6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
CID 56665436
N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 56665276
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 56682007

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide (CID 56672920) is N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(=N\C2CCC2)NO)c(Oc2ccc3oc4ccccc4c3c2)n1.
What is the InChIKey of N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is LHBMBZOVGSPUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-9-11-18(22(26-27)25-15-5-4-6-15)23(24-14)28-16-10-12-21-19(13-16)17-7-2-3-8-20(17)29-21/h2-3,7-13,15,27H,4-6H2,1H3,(H,25,26).
What are the key properties of N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide?
N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 387.44 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 56672920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).