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

C15H22FN3O2 — CID 153352765

IUPAC2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
SMILESCC(C)CC(C(N)=O)n1cc(CN2CC(F)C2)ccc1=O
InChIInChI=1S/C15H22FN3O2/c1-10(2)5-13(15(17)21)19-7-11(3-4-14(19)20)6-18-8-12(16)9-18/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H2,17,21)
InChIKeyBRTORFXKADXBFT-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.07
Rot. Bonds6

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

2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide (PubChem CID 153352765) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
PubChem CID153352765
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
SMILESCC(C)CC(C(N)=O)n1cc(CN2CC(F)C2)ccc1=O
InChIInChI=1S/C15H22FN3O2/c1-10(2)5-13(15(17)21)19-7-11(3-4-14(19)20)6-18-8-12(16)9-18/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H2,17,21)
InChIKeyBRTORFXKADXBFT-UHFFFAOYSA-N
XLogP1.07
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
The IUPAC name of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide (CID 153352765) is 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide.
What is the SMILES notation for 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
The canonical SMILES for 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide is CC(C)CC(C(N)=O)n1cc(CN2CC(F)C2)ccc1=O.
What is the InChIKey of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
The InChIKey is BRTORFXKADXBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10(2)5-13(15(17)21)19-7-11(3-4-14(19)20)6-18-8-12(16)9-18/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H2,17,21).
What are the key properties of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide has a molecular weight of 295.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide is sourced from PubChem (CID 153352765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).