3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide

C23H19N3O — CID 14040423

IUPAC3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1
InChIInChI=1S/C23H19N3O/c1-15-11-16(2)13-18(12-15)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-10-24-20/h3-14H,1-2H3,(H,25,26,27)
InChIKeyVBEVBDNLVNTAEQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.17
Rot. Bonds3

About 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide

3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (PubChem CID 14040423) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
PubChem CID14040423
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1
InChIInChI=1S/C23H19N3O/c1-15-11-16(2)13-18(12-15)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-10-24-20/h3-14H,1-2H3,(H,25,26,27)
InChIKeyVBEVBDNLVNTAEQ-UHFFFAOYSA-N
XLogP5.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide 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 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (CID 14040423) is 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The InChIKey is VBEVBDNLVNTAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-15-11-16(2)13-18(12-15)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-10-24-20/h3-14H,1-2H3,(H,25,26,27).
What are the key properties of 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide has a molecular weight of 353.43 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is sourced from PubChem (CID 14040423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).