(1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C13H16FN3O2 — CID 99600465

IUPAC(1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C13H16FN3O2/c14-8-1-4-12(15-7-8)16-13(19)17-9-2-3-10(17)6-11(18)5-9/h1,4,7,9-11,18H,2-3,5-6H2,(H,15,16,19)/t9-,10-/m0/s1
InChIKeyYULYRIBUIOMFAF-UWVGGRQHSA-N
MW265.29 g/mol
LogP1.74
Rot. Bonds1

About (1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 99600465) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is (1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID99600465
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name(1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C13H16FN3O2/c14-8-1-4-12(15-7-8)16-13(19)17-9-2-3-10(17)6-11(18)5-9/h1,4,7,9-11,18H,2-3,5-6H2,(H,15,16,19)/t9-,10-/m0/s1
InChIKeyYULYRIBUIOMFAF-UWVGGRQHSA-N
XLogP1.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 99600465) is (1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ccc(F)cn1)N1[C@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is YULYRIBUIOMFAF-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-8-1-4-12(15-7-8)16-13(19)17-9-2-3-10(17)6-11(18)5-9/h1,4,7,9-11,18H,2-3,5-6H2,(H,15,16,19)/t9-,10-/m0/s1.
What are the key properties of (1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(5-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 99600465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).