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

C23H19N3O — CID 14040420

IUPAC2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1
InChIInChI=1S/C23H19N3O/c1-15-10-11-16(2)19(13-15)23(27)26-22-18-8-4-3-7-17(18)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
InChIKeyYRWMDSYVZHWNKM-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.17
Rot. Bonds3

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

2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (PubChem CID 14040420) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
PubChem CID14040420
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1
InChIInChI=1S/C23H19N3O/c1-15-10-11-16(2)19(13-15)23(27)26-22-18-8-4-3-7-17(18)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
InChIKeyYRWMDSYVZHWNKM-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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (CID 14040420) is 2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is Cc1ccc(C)c(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1.
What is the InChIKey of 2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The InChIKey is YRWMDSYVZHWNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-15-10-11-16(2)19(13-15)23(27)26-22-18-8-4-3-7-17(18)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27).
What are the key properties of 2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
2,5-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 2,5-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is sourced from PubChem (CID 14040420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).