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

C18H20FN3O2 — CID 18180587

IUPAC5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(-c3cccnc3F)o2)C2CCN1CC2
InChIInChI=1S/C18H20FN3O2/c1-11-16(12-6-9-22(11)10-7-12)21-18(23)15-5-4-14(24-15)13-3-2-8-20-17(13)19/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,21,23)
InChIKeyQYNAVSCGDSOMKF-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.69
Rot. Bonds3

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

5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide (PubChem CID 18180587) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
PubChem CID18180587
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(-c3cccnc3F)o2)C2CCN1CC2
InChIInChI=1S/C18H20FN3O2/c1-11-16(12-6-9-22(11)10-7-12)21-18(23)15-5-4-14(24-15)13-3-2-8-20-17(13)19/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,21,23)
InChIKeyQYNAVSCGDSOMKF-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide (CID 18180587) is 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide is CC1C(NC(=O)c2ccc(-c3cccnc3F)o2)C2CCN1CC2.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The InChIKey is QYNAVSCGDSOMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11-16(12-6-9-22(11)10-7-12)21-18(23)15-5-4-14(24-15)13-3-2-8-20-17(13)19/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,21,23).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
5-(2-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-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 18180587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).