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

C16H15N3O2 — CID 10171624

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide
SMILESN#Cc1cc2ccc(C(=O)NC3CC4CC3CN4)cc2o1
InChIInChI=1S/C16H15N3O2/c17-7-13-4-9-1-2-10(5-15(9)21-13)16(20)19-14-6-12-3-11(14)8-18-12/h1-2,4-5,11-12,14,18H,3,6,8H2,(H,19,20)
InChIKeyPMFCDANZZUVKJX-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.78
Rot. Bonds2

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

N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide (PubChem CID 10171624) 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-5-yl)-2-cyano-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide
PubChem CID10171624
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide
SMILESN#Cc1cc2ccc(C(=O)NC3CC4CC3CN4)cc2o1
InChIInChI=1S/C16H15N3O2/c17-7-13-4-9-1-2-10(5-15(9)21-13)16(20)19-14-6-12-3-11(14)8-18-12/h1-2,4-5,11-12,14,18H,3,6,8H2,(H,19,20)
InChIKeyPMFCDANZZUVKJX-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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Related Compounds

N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyanofuro[3,2-c]pyridine-6-carboxamide
CID 22389296
N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 98077658
N-[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 129449962
N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide
CID 10125410
N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
CID 10192822
N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyanoimidazo[1,2-a]pyridine-6-carboxamide
CID 22566051
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide
CID 22313280
methyl 3-[6-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-2-yl]prop-2-ynoate
CID 91423741
N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 98077637
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 93499231
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 22573485
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 93499229

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide (CID 10171624) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide is N#Cc1cc2ccc(C(=O)NC3CC4CC3CN4)cc2o1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide?
The InChIKey is PMFCDANZZUVKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-7-13-4-9-1-2-10(5-15(9)21-13)16(20)19-14-6-12-3-11(14)8-18-12/h1-2,4-5,11-12,14,18H,3,6,8H2,(H,19,20).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-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-5-yl)-2-cyano-1-benzofuran-6-carboxamide is sourced from PubChem (CID 10171624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).