N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide

C22H22N2O3 — CID 18535759

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc(-c2cccc(-c3ccc(C(=O)NC4CC5CCC4N5)o3)c2)o1
InChIInChI=1S/C22H22N2O3/c1-13-5-8-19(26-13)14-3-2-4-15(11-14)20-9-10-21(27-20)22(25)24-18-12-16-6-7-17(18)23-16/h2-5,8-11,16-18,23H,6-7,12H2,1H3,(H,24,25)
InChIKeyNTKJRSZLKMEBJW-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.14
Rot. Bonds4

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide (PubChem CID 18535759) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
PubChem CID18535759
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc(-c2cccc(-c3ccc(C(=O)NC4CC5CCC4N5)o3)c2)o1
InChIInChI=1S/C22H22N2O3/c1-13-5-8-19(26-13)14-3-2-4-15(11-14)20-9-10-21(27-20)22(25)24-18-12-16-6-7-17(18)23-16/h2-5,8-11,16-18,23H,6-7,12H2,1H3,(H,24,25)
InChIKeyNTKJRSZLKMEBJW-UHFFFAOYSA-N
XLogP4.14
TPSA67.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide (CID 18535759) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide is Cc1ccc(-c2cccc(-c3ccc(C(=O)NC4CC5CCC4N5)o3)c2)o1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is NTKJRSZLKMEBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-13-5-8-19(26-13)14-3-2-4-15(11-14)20-9-10-21(27-20)22(25)24-18-12-16-6-7-17(18)23-16/h2-5,8-11,16-18,23H,6-7,12H2,1H3,(H,24,25).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 18535759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).