N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

C22H21N3O2 — CID 123188424

IUPACN-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESN#CC(Cc1ccc2oc3ccccc3c2c1)NC(=O)C1NC2CCC1C2
InChIInChI=1S/C22H21N3O2/c23-12-16(25-22(26)21-14-6-7-15(11-14)24-21)9-13-5-8-20-18(10-13)17-3-1-2-4-19(17)27-20/h1-5,8,10,14-16,21,24H,6-7,9,11H2,(H,25,26)
InChIKeyAMDWUZAQDYEPGE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.28
Rot. Bonds4

About N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 123188424) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID123188424
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESN#CC(Cc1ccc2oc3ccccc3c2c1)NC(=O)C1NC2CCC1C2
InChIInChI=1S/C22H21N3O2/c23-12-16(25-22(26)21-14-6-7-15(11-14)24-21)9-13-5-8-20-18(10-13)17-3-1-2-4-19(17)27-20/h1-5,8,10,14-16,21,24H,6-7,9,11H2,(H,25,26)
InChIKeyAMDWUZAQDYEPGE-UHFFFAOYSA-N
XLogP3.28
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 123188424) is N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide is N#CC(Cc1ccc2oc3ccccc3c2c1)NC(=O)C1NC2CCC1C2.
What is the InChIKey of N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is AMDWUZAQDYEPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c23-12-16(25-22(26)21-14-6-7-15(11-14)24-21)9-13-5-8-20-18(10-13)17-3-1-2-4-19(17)27-20/h1-5,8,10,14-16,21,24H,6-7,9,11H2,(H,25,26).
What are the key properties of N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 123188424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).