5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide

C19H19N3O — CID 70685039

IUPAC5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide
SMILESCCCCc1ccc(C(=O)Nc2nccc3ccccc23)nc1
InChIInChI=1S/C19H19N3O/c1-2-3-6-14-9-10-17(21-13-14)19(23)22-18-16-8-5-4-7-15(16)11-12-20-18/h4-5,7-13H,2-3,6H2,1H3,(H,20,22,23)
InChIKeyRIIRZOYVNRZXCK-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.22
Rot. Bonds5

About 5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide

5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide (PubChem CID 70685039) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide
PubChem CID70685039
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide
SMILESCCCCc1ccc(C(=O)Nc2nccc3ccccc23)nc1
InChIInChI=1S/C19H19N3O/c1-2-3-6-14-9-10-17(21-13-14)19(23)22-18-16-8-5-4-7-15(16)11-12-20-18/h4-5,7-13H,2-3,6H2,1H3,(H,20,22,23)
InChIKeyRIIRZOYVNRZXCK-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide?
The IUPAC name of 5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide (CID 70685039) is 5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide is CCCCc1ccc(C(=O)Nc2nccc3ccccc23)nc1.
What is the InChIKey of 5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide?
The InChIKey is RIIRZOYVNRZXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-3-6-14-9-10-17(21-13-14)19(23)22-18-16-8-5-4-7-15(16)11-12-20-18/h4-5,7-13H,2-3,6H2,1H3,(H,20,22,23).
What are the key properties of 5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide?
5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-isoquinolin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 70685039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).