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

C17H18FN3O2 — CID 18181097

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2cccnc2F)o1
InChIInChI=1S/C17H18FN3O2/c18-16-12(2-1-7-19-16)14-3-4-15(23-14)17(22)20-13-10-21-8-5-11(13)6-9-21/h1-4,7,11,13H,5-6,8-10H2,(H,20,22)
InChIKeyPDOBLSDCVBKXNE-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.30
Rot. Bonds3

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide (PubChem CID 18181097) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
PubChem CID18181097
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2cccnc2F)o1
InChIInChI=1S/C17H18FN3O2/c18-16-12(2-1-7-19-16)14-3-4-15(23-14)17(22)20-13-10-21-8-5-11(13)6-9-21/h1-4,7,11,13H,5-6,8-10H2,(H,20,22)
InChIKeyPDOBLSDCVBKXNE-UHFFFAOYSA-N
XLogP2.30
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide with MolForge

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Related Compounds

Bradanicline
CID 25147644
Sphinx31
CID 91972002
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
SPHINX scaffold, 3
CID 73672854
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
SPHINX scaffold, 2
CID 73672855
CID 16727410
CID 16727410
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-furan-2-yl-methanone
CID 42606459
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572
N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 46935872
5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 5295600
ALP-POS-b0bc6a46-10
CID 156906939

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide (CID 18181097) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(-c2cccnc2F)o1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide?
The InChIKey is PDOBLSDCVBKXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-16-12(2-1-7-19-16)14-3-4-15(23-14)17(22)20-13-10-21-8-5-11(13)6-9-21/h1-4,7,11,13H,5-6,8-10H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.30, 3 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-(2-fluoro-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 18181097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).