N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide

C23H23N3O2 — CID 56673227

IUPACN'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1ccccc1)c1cccnc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C23H23N3O2/c27-26-22(25-16-17-7-2-1-3-8-17)21-11-6-14-24-23(21)28-20-13-12-18-9-4-5-10-19(18)15-20/h1-3,6-8,11-15,27H,4-5,9-10,16H2,(H,25,26)
InChIKeyIUDRRRPQGGWCML-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.68
Rot. Bonds5

About N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide

N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide (PubChem CID 56673227) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide
PubChem CID56673227
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1ccccc1)c1cccnc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C23H23N3O2/c27-26-22(25-16-17-7-2-1-3-8-17)21-11-6-14-24-23(21)28-20-13-12-18-9-4-5-10-19(18)15-20/h1-3,6-8,11-15,27H,4-5,9-10,16H2,(H,25,26)
InChIKeyIUDRRRPQGGWCML-UHFFFAOYSA-N
XLogP4.68
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide?
The IUPAC name of N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide (CID 56673227) is N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide is ON/C(=N\Cc1ccccc1)c1cccnc1Oc1ccc2c(c1)CCCC2.
What is the InChIKey of N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide?
The InChIKey is IUDRRRPQGGWCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-26-22(25-16-17-7-2-1-3-8-17)21-11-6-14-24-23(21)28-20-13-12-18-9-4-5-10-19(18)15-20/h1-3,6-8,11-15,27H,4-5,9-10,16H2,(H,25,26).
What are the key properties of N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide?
N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide has a molecular weight of 373.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56673227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).