N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide

C22H18N4 — CID 6858772

IUPACN'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide
SMILESCc1cccc2c(/N=C(\N)c3ccccn3)nc(-c3ccccc3)cc12
InChIInChI=1S/C22H18N4/c1-15-8-7-11-17-18(15)14-20(16-9-3-2-4-10-16)25-22(17)26-21(23)19-12-5-6-13-24-19/h2-14H,1H3,(H2,23,25,26)
InChIKeyYJTXQOHZBUAFJX-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.64
Rot. Bonds3

About N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide

N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide (PubChem CID 6858772) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide
PubChem CID6858772
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC NameN'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide
SMILESCc1cccc2c(/N=C(\N)c3ccccn3)nc(-c3ccccc3)cc12
InChIInChI=1S/C22H18N4/c1-15-8-7-11-17-18(15)14-20(16-9-3-2-4-10-16)25-22(17)26-21(23)19-12-5-6-13-24-19/h2-14H,1H3,(H2,23,25,26)
InChIKeyYJTXQOHZBUAFJX-UHFFFAOYSA-N
XLogP4.64
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(5-methyl-3-phenylisoquinolin-1-yl)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'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide (CID 6858772) is N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide is Cc1cccc2c(/N=C(\N)c3ccccn3)nc(-c3ccccc3)cc12.
What is the InChIKey of N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide?
The InChIKey is YJTXQOHZBUAFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-15-8-7-11-17-18(15)14-20(16-9-3-2-4-10-16)25-22(17)26-21(23)19-12-5-6-13-24-19/h2-14H,1H3,(H2,23,25,26).
What are the key properties of N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide?
N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide has a molecular weight of 338.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-3-phenylisoquinolin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 6858772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).