N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide

C22H22N2O3 — CID 70026440

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccccc2-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)o1
InChIInChI=1S/C22H22N2O3/c1-13-6-9-19(26-13)15-4-2-3-5-16(15)20-10-11-21(27-20)22(25)24-18-12-14-7-8-17(18)23-14/h2-6,9-11,14,17-18,23H,7-8,12H2,1H3,(H,24,25)/t14-,17+,18-/m1/s1
InChIKeyYJBJYDQSQAKQMG-FHLIZLRMSA-N
MW362.43 g/mol
LogP4.14
Rot. Bonds4

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide (PubChem CID 70026440) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
PubChem CID70026440
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccccc2-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)o1
InChIInChI=1S/C22H22N2O3/c1-13-6-9-19(26-13)15-4-2-3-5-16(15)20-10-11-21(27-20)22(25)24-18-12-14-7-8-17(18)23-14/h2-6,9-11,14,17-18,23H,7-8,12H2,1H3,(H,24,25)/t14-,17+,18-/m1/s1
InChIKeyYJBJYDQSQAKQMG-FHLIZLRMSA-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-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(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

Related Compounds

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18535759
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide
CID 18535430
N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
CID 15978646
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
CID 18534899
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-ethylphenyl)furan-2-carboxamide
CID 70028089
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 70027888
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
CID 161354262
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 70026205
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-3-ylfuran-2-carboxamide
CID 70027681
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 70026122
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[4-(ethylamino)phenyl]furan-2-carboxamide
CID 18535315
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 70028158

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide (CID 70026440) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide is Cc1ccc(-c2ccccc2-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)o1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is YJBJYDQSQAKQMG-FHLIZLRMSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-13-6-9-19(26-13)15-4-2-3-5-16(15)20-10-11-21(27-20)22(25)24-18-12-14-7-8-17(18)23-14/h2-6,9-11,14,17-18,23H,7-8,12H2,1H3,(H,24,25)/t14-,17+,18-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(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-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 70026440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).