N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide

C22H17N3O2 — CID 56658366

IUPACN-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide
SMILESON/C(=N\c1ccccc1)c1cccnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C22H17N3O2/c26-25-21(24-18-9-2-1-3-10-18)20-11-6-14-23-22(20)27-19-13-12-16-7-4-5-8-17(16)15-19/h1-15,26H,(H,24,25)
InChIKeyGXSRBPNLPXMUBG-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.08
Rot. Bonds4

About N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide

N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide (PubChem CID 56658366) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide
PubChem CID56658366
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide
SMILESON/C(=N\c1ccccc1)c1cccnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C22H17N3O2/c26-25-21(24-18-9-2-1-3-10-18)20-11-6-14-23-22(20)27-19-13-12-16-7-4-5-8-17(16)15-19/h1-15,26H,(H,24,25)
InChIKeyGXSRBPNLPXMUBG-UHFFFAOYSA-N
XLogP5.08
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.08
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'}

Analyze N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-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 N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide (CID 56658366) is N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide is ON/C(=N\c1ccccc1)c1cccnc1Oc1ccc2ccccc2c1.
What is the InChIKey of N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide?
The InChIKey is GXSRBPNLPXMUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-25-21(24-18-9-2-1-3-10-18)20-11-6-14-23-22(20)27-19-13-12-16-7-4-5-8-17(16)15-19/h1-15,26H,(H,24,25).
What are the key properties of N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide?
N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide has a molecular weight of 355.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-naphthalen-2-yloxy-N'-phenylpyridine-3-carboximidamide is sourced from PubChem (CID 56658366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).