N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide

C17H19N3O2 — CID 23599456

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C17H19N3O2/c21-17(19-14-11-20-9-5-12(14)6-10-20)16-2-1-15(22-16)13-3-7-18-8-4-13/h1-4,7-8,12,14H,5-6,9-11H2,(H,19,21)/t14-/m0/s1
InChIKeyFMOHTJWWZYDUKQ-AWEZNQCLSA-N
MW297.36 g/mol
LogP2.17
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 23599456) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
PubChem CID23599456
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C17H19N3O2/c21-17(19-14-11-20-9-5-12(14)6-10-20)16-2-1-15(22-16)13-3-7-18-8-4-13/h1-4,7-8,12,14H,5-6,9-11H2,(H,19,21)/t14-/m0/s1
InChIKeyFMOHTJWWZYDUKQ-AWEZNQCLSA-N
XLogP2.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4602961
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-5-phenylfuran-2-carboxamide
CID 59113576
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-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 18181198
N-(1-azabicyclo[2.2.2]octan-3-yl)furo[2,3-c]pyridine-2-carboxamide
CID 22047383
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]-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
CID 21350196
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxamide
CID 11518929
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 18181247
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-(2-fluorophenyl)furan-2-carboxamide
CID 18181740
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 23599504

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide (CID 23599456) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccncc2)o1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is FMOHTJWWZYDUKQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(19-14-11-20-9-5-12(14)6-10-20)16-2-1-15(22-16)13-3-7-18-8-4-13/h1-4,7-8,12,14H,5-6,9-11H2,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 23599456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).