2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone

C20H21FN2O — CID 58549986

IUPAC2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone
SMILESO=C(CC1C[C@H]2CC[C@@H](C1)N2)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C20H21FN2O/c21-16-3-1-2-14(11-16)19-7-4-15(12-22-19)20(24)10-13-8-17-5-6-18(9-13)23-17/h1-4,7,11-13,17-18,23H,5-6,8-10H2/t13?,17-,18+
InChIKeyJTFJSQFBEBESBT-CNUNBNKRSA-N
MW324.40 g/mol
LogP3.99
Rot. Bonds4

About 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone

2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone (PubChem CID 58549986) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone
PubChem CID58549986
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone
SMILESO=C(CC1C[C@H]2CC[C@@H](C1)N2)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C20H21FN2O/c21-16-3-1-2-14(11-16)19-7-4-15(12-22-19)20(24)10-13-8-17-5-6-18(9-13)23-17/h1-4,7,11-13,17-18,23H,5-6,8-10H2/t13?,17-,18+
InChIKeyJTFJSQFBEBESBT-CNUNBNKRSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone with MolForge

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Related Compounds

2-[(1S,5R)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone
CID 58550074
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone
CID 116588289
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone
CID 116588254
N-[(1R,3S)-3-(aminomethyl)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401499
6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59401403
[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate
CID 87257900
6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 116588327
N-cyclohexyl-2-hydroxyacetamide;6-(3-fluorophenyl)pyridine-3-carboxamide
CID 143913622
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone (CID 58549986) is 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone is O=C(CC1C[C@H]2CC[C@@H](C1)N2)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone?
The InChIKey is JTFJSQFBEBESBT-CNUNBNKRSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-16-3-1-2-14(11-16)19-7-4-15(12-22-19)20(24)10-13-8-17-5-6-18(9-13)23-17/h1-4,7,11-13,17-18,23H,5-6,8-10H2/t13?,17-,18+.
What are the key properties of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone?
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone has a molecular weight of 324.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 58549986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).