N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

C13H15FN2O2 — CID 128614488

IUPACN-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESO=C(CC1CC2CCC1O2)Nc1ccc(F)cn1
InChIInChI=1S/C13H15FN2O2/c14-9-1-4-12(15-7-9)16-13(17)6-8-5-10-2-3-11(8)18-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,15,16,17)
InChIKeyJVNBJQSAOVODIC-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.12
Rot. Bonds3

About N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (PubChem CID 128614488) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
PubChem CID128614488
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESO=C(CC1CC2CCC1O2)Nc1ccc(F)cn1
InChIInChI=1S/C13H15FN2O2/c14-9-1-4-12(15-7-9)16-13(17)6-8-5-10-2-3-11(8)18-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,15,16,17)
InChIKeyJVNBJQSAOVODIC-UHFFFAOYSA-N
XLogP2.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (CID 128614488) is N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is O=C(CC1CC2CCC1O2)Nc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The InChIKey is JVNBJQSAOVODIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-9-1-4-12(15-7-9)16-13(17)6-8-5-10-2-3-11(8)18-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,15,16,17).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide has a molecular weight of 250.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is sourced from PubChem (CID 128614488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).