2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide

C14H19F2N3O2 — CID 146183455

IUPAC2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide
SMILESCCCC(C(N)=O)n1cc(CN2CC(F)(F)C2)ccc1=O
InChIInChI=1S/C14H19F2N3O2/c1-2-3-11(13(17)21)19-7-10(4-5-12(19)20)6-18-8-14(15,16)9-18/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,21)
InChIKeyCDOQZJQWCUIOJP-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.13
Rot. Bonds6

About 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide

2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide (PubChem CID 146183455) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide.

Molecular Properties

Compound Name2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide
PubChem CID146183455
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide
SMILESCCCC(C(N)=O)n1cc(CN2CC(F)(F)C2)ccc1=O
InChIInChI=1S/C14H19F2N3O2/c1-2-3-11(13(17)21)19-7-10(4-5-12(19)20)6-18-8-14(15,16)9-18/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,21)
InChIKeyCDOQZJQWCUIOJP-UHFFFAOYSA-N
XLogP1.13
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide?
The IUPAC name of 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide (CID 146183455) is 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide.
What is the SMILES notation for 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide?
The canonical SMILES for 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide is CCCC(C(N)=O)n1cc(CN2CC(F)(F)C2)ccc1=O.
What is the InChIKey of 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide?
The InChIKey is CDOQZJQWCUIOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-2-3-11(13(17)21)19-7-10(4-5-12(19)20)6-18-8-14(15,16)9-18/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,21).
What are the key properties of 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide?
2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide has a molecular weight of 299.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide is sourced from PubChem (CID 146183455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).