4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide

C22H17N3O — CID 10359831

IUPAC4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)cc1
InChIInChI=1S/C22H17N3O/c1-15-9-11-16(12-10-15)22(26)25-21-18-7-3-2-6-17(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
InChIKeyXKGYBIWGVCSKAC-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.86
Rot. Bonds3

About 4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide

4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (PubChem CID 10359831) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
PubChem CID10359831
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)cc1
InChIInChI=1S/C22H17N3O/c1-15-9-11-16(12-10-15)22(26)25-21-18-7-3-2-6-17(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
InChIKeyXKGYBIWGVCSKAC-UHFFFAOYSA-N
XLogP4.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The IUPAC name of 4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (CID 10359831) is 4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The canonical SMILES for 4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The InChIKey is XKGYBIWGVCSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-15-9-11-16(12-10-15)22(26)25-21-18-7-3-2-6-17(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26).
What are the key properties of 4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is sourced from PubChem (CID 10359831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).