N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide

C22H27N3O2 — CID 18181247

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2cccc(N3CCCC3)c2)o1
InChIInChI=1S/C22H27N3O2/c26-22(23-19-15-24-12-8-16(19)9-13-24)21-7-6-20(27-21)17-4-3-5-18(14-17)25-10-1-2-11-25/h3-7,14,16,19H,1-2,8-13,15H2,(H,23,26)
InChIKeyHBHAIWXUVRTGPX-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.37
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 18181247) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide
PubChem CID18181247
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2cccc(N3CCCC3)c2)o1
InChIInChI=1S/C22H27N3O2/c26-22(23-19-15-24-12-8-16(19)9-13-24)21-7-6-20(27-21)17-4-3-5-18(14-17)25-10-1-2-11-25/h3-7,14,16,19H,1-2,8-13,15H2,(H,23,26)
InChIKeyHBHAIWXUVRTGPX-UHFFFAOYSA-N
XLogP3.37
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18180447
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 58675167
5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide
CID 20815050
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 18182100
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(benzenesulfonamido)phenyl]furan-2-carboxamide
CID 18181787
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-5-phenylfuran-2-carboxamide
CID 59113576
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4602961
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 23599456
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide;but-2-enedioic acid
CID 70024793
5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180723
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 18181740
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 18181198

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide (CID 18181247) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(-c2cccc(N3CCCC3)c2)o1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is HBHAIWXUVRTGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(23-19-15-24-12-8-16(19)9-13-24)21-7-6-20(27-21)17-4-3-5-18(14-17)25-10-1-2-11-25/h3-7,14,16,19H,1-2,8-13,15H2,(H,23,26).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 18181247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).