N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide

C21H20N2O3 — CID 70025706

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2cccc(-c3ccco3)c2)o1
InChIInChI=1S/C21H20N2O3/c24-21(23-17-12-15-6-7-16(17)22-15)20-9-8-19(26-20)14-4-1-3-13(11-14)18-5-2-10-25-18/h1-5,8-11,15-17,22H,6-7,12H2,(H,23,24)/t15-,16+,17-/m1/s1
InChIKeyADLOBFBVNMYHLJ-IXDOHACOSA-N
MW348.40 g/mol
LogP3.83
Rot. Bonds4

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide (PubChem CID 70025706) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide
PubChem CID70025706
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2cccc(-c3ccco3)c2)o1
InChIInChI=1S/C21H20N2O3/c24-21(23-17-12-15-6-7-16(17)22-15)20-9-8-19(26-20)14-4-1-3-13(11-14)18-5-2-10-25-18/h1-5,8-11,15-17,22H,6-7,12H2,(H,23,24)/t15-,16+,17-/m1/s1
InChIKeyADLOBFBVNMYHLJ-IXDOHACOSA-N
XLogP3.83
TPSA67.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[3-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
CID 18535376
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-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide
CID 18535005
N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
CID 15978646
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-(4-nitrophenyl)furan-2-carboxamide
CID 10131402
N-(7-azabicyclo[2.2.1]heptan-2-yl)furan-2-carboxamide
CID 155850992
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-ethylphenyl)furan-2-carboxamide
CID 70028089
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
CID 161354262
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-chloro-3-pyridinyl)furan-2-carboxamide
CID 18535263
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 70026205

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide (CID 70025706) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-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-[3-(furan-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2cccc(-c3ccco3)c2)o1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is ADLOBFBVNMYHLJ-IXDOHACOSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-21(23-17-12-15-6-7-16(17)22-15)20-9-8-19(26-20)14-4-1-3-13(11-14)18-5-2-10-25-18/h1-5,8-11,15-17,22H,6-7,12H2,(H,23,24)/t15-,16+,17-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.83, 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-[3-(furan-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 70025706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).