N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide

C16H15N3O2 — CID 10125410

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide
SMILESN#Cc1cc2cc(C(=O)NC3CC4CNC3C4)ccc2o1
InChIInChI=1S/C16H15N3O2/c17-7-12-6-11-5-10(1-2-15(11)21-12)16(20)19-14-4-9-3-13(14)18-8-9/h1-2,5-6,9,13-14,18H,3-4,8H2,(H,19,20)
InChIKeyLARKJHIZUNEJOI-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.78
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide (PubChem CID 10125410) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide
PubChem CID10125410
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide
SMILESN#Cc1cc2cc(C(=O)NC3CC4CNC3C4)ccc2o1
InChIInChI=1S/C16H15N3O2/c17-7-12-6-11-5-10(1-2-15(11)21-12)16(20)19-14-4-9-3-13(14)18-8-9/h1-2,5-6,9,13-14,18H,3-4,8H2,(H,19,20)
InChIKeyLARKJHIZUNEJOI-UHFFFAOYSA-N
XLogP1.78
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide (CID 10125410) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide is N#Cc1cc2cc(C(=O)NC3CC4CNC3C4)ccc2o1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide?
The InChIKey is LARKJHIZUNEJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-7-12-6-11-5-10(1-2-15(11)21-12)16(20)19-14-4-9-3-13(14)18-8-9/h1-2,5-6,9,13-14,18H,3-4,8H2,(H,19,20).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide is sourced from PubChem (CID 10125410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).