N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide

C24H29N3O — CID 4057423

IUPACN-(3-pyridin-2-ylisoquinolin-1-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C24H29N3O/c1-2-3-4-5-6-7-8-16-23(28)27-24-20-14-10-9-13-19(20)18-22(26-24)21-15-11-12-17-25-21/h9-15,17-18H,2-8,16H2,1H3,(H,26,27,28)
InChIKeyVOTKZOYATSERIT-UHFFFAOYSA-N
MW375.52 g/mol
LogP6.38
Rot. Bonds10

About N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide

N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide (PubChem CID 4057423) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide.

Molecular Properties

Compound NameN-(3-pyridin-2-ylisoquinolin-1-yl)decanamide
PubChem CID4057423
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-(3-pyridin-2-ylisoquinolin-1-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C24H29N3O/c1-2-3-4-5-6-7-8-16-23(28)27-24-20-14-10-9-13-19(20)18-22(26-24)21-15-11-12-17-25-21/h9-15,17-18H,2-8,16H2,1H3,(H,26,27,28)
InChIKeyVOTKZOYATSERIT-UHFFFAOYSA-N
XLogP6.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide?
The IUPAC name of N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide (CID 4057423) is N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide.
What is the SMILES notation for N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide?
The canonical SMILES for N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide is CCCCCCCCCC(=O)Nc1nc(-c2ccccn2)cc2ccccc12.
What is the InChIKey of N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide?
The InChIKey is VOTKZOYATSERIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-2-3-4-5-6-7-8-16-23(28)27-24-20-14-10-9-13-19(20)18-22(26-24)21-15-11-12-17-25-21/h9-15,17-18H,2-8,16H2,1H3,(H,26,27,28).
What are the key properties of N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide?
N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide has a molecular weight of 375.52 g/mol, XLogP of 6.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide is sourced from PubChem (CID 4057423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).