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

C19H19N3O — CID 14040414

IUPAC2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C19H19N3O/c1-19(2,3)18(23)22-17-14-9-5-4-8-13(14)12-16(21-17)15-10-6-7-11-20-15/h4-12H,1-3H3,(H,21,22,23)
InChIKeyWZAHIXQNNGKREG-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.28
Rot. Bonds2

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

2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide (PubChem CID 14040414) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide
PubChem CID14040414
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C19H19N3O/c1-19(2,3)18(23)22-17-14-9-5-4-8-13(14)12-16(21-17)15-10-6-7-11-20-15/h4-12H,1-3H3,(H,21,22,23)
InChIKeyWZAHIXQNNGKREG-UHFFFAOYSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide (CID 14040414) is 2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide is CC(C)(C)C(=O)Nc1nc(-c2ccccn2)cc2ccccc12.
What is the InChIKey of 2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide?
The InChIKey is WZAHIXQNNGKREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-19(2,3)18(23)22-17-14-9-5-4-8-13(14)12-16(21-17)15-10-6-7-11-20-15/h4-12H,1-3H3,(H,21,22,23).
What are the key properties of 2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide?
2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide has a molecular weight of 305.38 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide is sourced from PubChem (CID 14040414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).