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

C17H26FN3O2 — CID 146186709

IUPAC2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide
SMILESCc1cc(=O)n(C(CC(C)C)C(N)=O)cc1CCN1CC(F)C1
InChIInChI=1S/C17H26FN3O2/c1-11(2)6-15(17(19)23)21-8-13(12(3)7-16(21)22)4-5-20-9-14(18)10-20/h7-8,11,14-15H,4-6,9-10H2,1-3H3,(H2,19,23)
InChIKeyBZDVEKNYUWVUEJ-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.43
Rot. Bonds7

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

2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide (PubChem CID 146186709) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide
PubChem CID146186709
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide
SMILESCc1cc(=O)n(C(CC(C)C)C(N)=O)cc1CCN1CC(F)C1
InChIInChI=1S/C17H26FN3O2/c1-11(2)6-15(17(19)23)21-8-13(12(3)7-16(21)22)4-5-20-9-14(18)10-20/h7-8,11,14-15H,4-6,9-10H2,1-3H3,(H2,19,23)
InChIKeyBZDVEKNYUWVUEJ-UHFFFAOYSA-N
XLogP1.43
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.43
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]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide?
The IUPAC name of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide (CID 146186709) is 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide.
What is the SMILES notation for 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide?
The canonical SMILES for 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide is Cc1cc(=O)n(C(CC(C)C)C(N)=O)cc1CCN1CC(F)C1.
What is the InChIKey of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide?
The InChIKey is BZDVEKNYUWVUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-11(2)6-15(17(19)23)21-8-13(12(3)7-16(21)22)4-5-20-9-14(18)10-20/h7-8,11,14-15H,4-6,9-10H2,1-3H3,(H2,19,23).
What are the key properties of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide?
2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide has a molecular weight of 323.41 g/mol, XLogP of 1.43, 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]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide is sourced from PubChem (CID 146186709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).