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

C16H13N3O — CID 14040412

IUPACN-(3-pyridin-2-ylisoquinolin-1-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C16H13N3O/c1-11(20)18-16-13-7-3-2-6-12(13)10-15(19-16)14-8-4-5-9-17-14/h2-10H,1H3,(H,18,19,20)
InChIKeyVKWDSOZPEYCKHD-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.26
Rot. Bonds2

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

N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide (PubChem CID 14040412) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-pyridin-2-ylisoquinolin-1-yl)acetamide
PubChem CID14040412
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-(3-pyridin-2-ylisoquinolin-1-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C16H13N3O/c1-11(20)18-16-13-7-3-2-6-12(13)10-15(19-16)14-8-4-5-9-17-14/h2-10H,1H3,(H,18,19,20)
InChIKeyVKWDSOZPEYCKHD-UHFFFAOYSA-N
XLogP3.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide?
The IUPAC name of N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide (CID 14040412) is N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide?
The canonical SMILES for N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide is CC(=O)Nc1nc(-c2ccccn2)cc2ccccc12.
What is the InChIKey of N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide?
The InChIKey is VKWDSOZPEYCKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11(20)18-16-13-7-3-2-6-12(13)10-15(19-16)14-8-4-5-9-17-14/h2-10H,1H3,(H,18,19,20).
What are the key properties of N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide?
N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 3.26, 2 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)acetamide is sourced from PubChem (CID 14040412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).