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

C23H19N3O — CID 14040419

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

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

2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (PubChem CID 14040419) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
PubChem CID14040419
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c(C)c1
InChIInChI=1S/C23H19N3O/c1-15-10-11-18(16(2)13-15)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
InChIKeyMFHBPLPHXUAKAX-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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Related Compounds

N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide
CID 14040412
2,4-dimethyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
CID 53143120
N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
CID 88692628
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
CID 103892998
N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 46975748
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
6,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261395
methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 177319819
5-methyl-N-phenyl-2-pyridin-2-ylbenzamide
CID 102459618
N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 899137
2,4-dimethyl-N-(4-methyl-1,2-oxazol-3-yl)benzamide
CID 152916731
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 27649831

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (CID 14040419) is 2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The InChIKey is MFHBPLPHXUAKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-15-10-11-18(16(2)13-15)23(27)26-22-19-8-4-3-7-17(19)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 2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
2,4-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 2,4-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is sourced from PubChem (CID 14040419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).