2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide

C8H13FN2O — CID 126782111

IUPAC2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESCC(C(N)=O)N1CCC=C(F)C1
InChIInChI=1S/C8H13FN2O/c1-6(8(10)12)11-4-2-3-7(9)5-11/h3,6H,2,4-5H2,1H3,(H2,10,12)
InChIKeyAAAQHBWKQNRSJZ-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.42
Rot. Bonds2

About 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide

2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide (PubChem CID 126782111) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide.

Molecular Properties

Compound Name2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide
PubChem CID126782111
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESCC(C(N)=O)N1CCC=C(F)C1
InChIInChI=1S/C8H13FN2O/c1-6(8(10)12)11-4-2-3-7(9)5-11/h3,6H,2,4-5H2,1H3,(H2,10,12)
InChIKeyAAAQHBWKQNRSJZ-UHFFFAOYSA-N
XLogP0.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The IUPAC name of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide (CID 126782111) is 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide.
What is the SMILES notation for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The canonical SMILES for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide is CC(C(N)=O)N1CCC=C(F)C1.
What is the InChIKey of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The InChIKey is AAAQHBWKQNRSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-6(8(10)12)11-4-2-3-7(9)5-11/h3,6H,2,4-5H2,1H3,(H2,10,12).
What are the key properties of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide?
2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide has a molecular weight of 172.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanamide is sourced from PubChem (CID 126782111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).