5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide

C18H20FN3O2 — CID 18181843

IUPAC5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(-c3cnccc3F)o2)C2CCN1CC2
InChIInChI=1S/C18H20FN3O2/c1-11-17(12-5-8-22(11)9-6-12)21-18(23)16-3-2-15(24-16)13-10-20-7-4-14(13)19/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,21,23)
InChIKeyHNYHZHRPJNSTFM-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.69
Rot. Bonds3

About 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide

5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide (PubChem CID 18181843) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
PubChem CID18181843
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(-c3cnccc3F)o2)C2CCN1CC2
InChIInChI=1S/C18H20FN3O2/c1-11-17(12-5-8-22(11)9-6-12)21-18(23)16-3-2-15(24-16)13-10-20-7-4-14(13)19/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,21,23)
InChIKeyHNYHZHRPJNSTFM-UHFFFAOYSA-N
XLogP2.69
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)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
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
5-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide
CID 24661244
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)picolinamide
CID 49865327

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide (CID 18181843) is 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide is CC1C(NC(=O)c2ccc(-c3cnccc3F)o2)C2CCN1CC2.
What is the InChIKey of 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The InChIKey is HNYHZHRPJNSTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11-17(12-5-8-22(11)9-6-12)21-18(23)16-3-2-15(24-16)13-10-20-7-4-14(13)19/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,21,23).
What are the key properties of 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 18181843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).