6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide

C23H29N3O3 — CID 56679540

IUPAC6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
SMILESCC1CCC(/N=C(\NO)c2ccc(Oc3cccc4c3OC(C)(C)C4)nc2)CC1
InChIInChI=1S/C23H29N3O3/c1-15-7-10-18(11-8-15)25-22(26-27)17-9-12-20(24-14-17)28-19-6-4-5-16-13-23(2,3)29-21(16)19/h4-6,9,12,14-15,18,27H,7-8,10-11,13H2,1-3H3,(H,25,26)
InChIKeyUBIZHGNOCWQANM-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.89
Rot. Bonds4

About 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide

6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide (PubChem CID 56679540) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
PubChem CID56679540
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
SMILESCC1CCC(/N=C(\NO)c2ccc(Oc3cccc4c3OC(C)(C)C4)nc2)CC1
InChIInChI=1S/C23H29N3O3/c1-15-7-10-18(11-8-15)25-22(26-27)17-9-12-20(24-14-17)28-19-6-4-5-16-13-23(2,3)29-21(16)19/h4-6,9,12,14-15,18,27H,7-8,10-11,13H2,1-3H3,(H,25,26)
InChIKeyUBIZHGNOCWQANM-UHFFFAOYSA-N
XLogP4.89
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.89
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'}

Analyze 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide?
The IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide (CID 56679540) is 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide?
The canonical SMILES for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide is CC1CCC(/N=C(\NO)c2ccc(Oc3cccc4c3OC(C)(C)C4)nc2)CC1.
What is the InChIKey of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide?
The InChIKey is UBIZHGNOCWQANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-7-10-18(11-8-15)25-22(26-27)17-9-12-20(24-14-17)28-19-6-4-5-16-13-23(2,3)29-21(16)19/h4-6,9,12,14-15,18,27H,7-8,10-11,13H2,1-3H3,(H,25,26).
What are the key properties of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide?
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide has a molecular weight of 395.50 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide is sourced from PubChem (CID 56679540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).