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

C15H22FN3O2S — CID 146182921

IUPAC2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide
SMILESCC(C)CC(C(=O)NS)n1cc(CN2CC(F)C2)ccc1=O
InChIInChI=1S/C15H22FN3O2S/c1-10(2)5-13(15(21)17-22)19-7-11(3-4-14(19)20)6-18-8-12(16)9-18/h3-4,7,10,12-13,22H,5-6,8-9H2,1-2H3,(H,17,21)
InChIKeyKBACHQMCVZCPRZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.55
Rot. Bonds6

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

2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide (PubChem CID 146182921) has the molecular formula C15H22FN3O2S and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide.

Molecular Properties

Compound Name2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide
PubChem CID146182921
Molecular FormulaC15H22FN3O2S
Molecular Weight327.43 g/mol
Exact Mass327.14
IUPAC Name2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide
SMILESCC(C)CC(C(=O)NS)n1cc(CN2CC(F)C2)ccc1=O
InChIInChI=1S/C15H22FN3O2S/c1-10(2)5-13(15(21)17-22)19-7-11(3-4-14(19)20)6-18-8-12(16)9-18/h3-4,7,10,12-13,22H,5-6,8-9H2,1-2H3,(H,17,21)
InChIKeyKBACHQMCVZCPRZ-UHFFFAOYSA-N
XLogP1.55
TPSA54.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[5-[2-(3-Fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
CID 146182975
2-[5-[(3,3-Difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]pentanamide
CID 146183455
2-[5-[2-(3-Fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide
CID 146186709
2-[5-[(3-Fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
CID 153352765
2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
CID 155374666
2-[5-[2-[Ethyl(methyl)amino]ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
CID 156283122
2-[5-[2-(Azetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
CID 156283128
2-[5-[3-(Azetidin-1-yl)propyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
CID 156283136
2-[5-[3-(Dimethylamino)propyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
CID 156283140
2-[5-[2-(Dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
CID 156283183
2-[5-[2-(3-ethylazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methyl-N-sulfanylpentanamide
CID 156283242
2-[3-Fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
CID 156283251

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide?
The IUPAC name of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide (CID 146182921) is 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide.
What is the SMILES notation for 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide?
The canonical SMILES for 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide is CC(C)CC(C(=O)NS)n1cc(CN2CC(F)C2)ccc1=O.
What is the InChIKey of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide?
The InChIKey is KBACHQMCVZCPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2S/c1-10(2)5-13(15(21)17-22)19-7-11(3-4-14(19)20)6-18-8-12(16)9-18/h3-4,7,10,12-13,22H,5-6,8-9H2,1-2H3,(H,17,21).
What are the key properties of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide?
2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide has a molecular weight of 327.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide is sourced from PubChem (CID 146182921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).