N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide

C18H16N6O — CID 173477402

IUPACN'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide
SMILESCOc1ccc(/N=N/N=C(N)c2ccccn2)cc1-c1cccnc1
InChIInChI=1S/C18H16N6O/c1-25-17-8-7-14(11-15(17)13-5-4-9-20-12-13)22-24-23-18(19)16-6-2-3-10-21-16/h2-12H,1H3,(H2,19,22,23)
InChIKeyANDUMGQEGHIZAA-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.56
Rot. Bonds5

About N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide

N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide (PubChem CID 173477402) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide
PubChem CID173477402
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide
SMILESCOc1ccc(/N=N/N=C(N)c2ccccn2)cc1-c1cccnc1
InChIInChI=1S/C18H16N6O/c1-25-17-8-7-14(11-15(17)13-5-4-9-20-12-13)22-24-23-18(19)16-6-2-3-10-21-16/h2-12H,1H3,(H2,19,22,23)
InChIKeyANDUMGQEGHIZAA-UHFFFAOYSA-N
XLogP3.56
TPSA98.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-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'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide?
The IUPAC name of N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide (CID 173477402) is N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide is COc1ccc(/N=N/N=C(N)c2ccccn2)cc1-c1cccnc1.
What is the InChIKey of N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide?
The InChIKey is ANDUMGQEGHIZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-25-17-8-7-14(11-15(17)13-5-4-9-20-12-13)22-24-23-18(19)16-6-2-3-10-21-16/h2-12H,1H3,(H2,19,22,23).
What are the key properties of N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide?
N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide has a molecular weight of 332.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide is sourced from PubChem (CID 173477402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).