2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide

C16H24FN3O2 — CID 146182975

IUPAC2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
SMILESCC(C)CC(C(N)=O)n1cc(CCN2CC(F)C2)ccc1=O
InChIInChI=1S/C16H24FN3O2/c1-11(2)7-14(16(18)22)20-8-12(3-4-15(20)21)5-6-19-9-13(17)10-19/h3-4,8,11,13-14H,5-7,9-10H2,1-2H3,(H2,18,22)
InChIKeyQADQLQPMUCCMAT-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.12
Rot. Bonds7

About 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide

2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide (PubChem CID 146182975) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
PubChem CID146182975
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
SMILESCC(C)CC(C(N)=O)n1cc(CCN2CC(F)C2)ccc1=O
InChIInChI=1S/C16H24FN3O2/c1-11(2)7-14(16(18)22)20-8-12(3-4-15(20)21)5-6-19-9-13(17)10-19/h3-4,8,11,13-14H,5-7,9-10H2,1-2H3,(H2,18,22)
InChIKeyQADQLQPMUCCMAT-UHFFFAOYSA-N
XLogP1.12
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
The IUPAC name of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide (CID 146182975) is 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide.
What is the SMILES notation for 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
The canonical SMILES for 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide is CC(C)CC(C(N)=O)n1cc(CCN2CC(F)C2)ccc1=O.
What is the InChIKey of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
The InChIKey is QADQLQPMUCCMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-11(2)7-14(16(18)22)20-8-12(3-4-15(20)21)5-6-19-9-13(17)10-19/h3-4,8,11,13-14H,5-7,9-10H2,1-2H3,(H2,18,22).
What are the key properties of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide has a molecular weight of 309.39 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide is sourced from PubChem (CID 146182975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).