3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one

C16H18F2N2O2 — CID 171846095

IUPAC3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1ccc(CC(C)n2ccc(F)cc2=O)c(F)c1=O
InChIInChI=1S/C16H18F2N2O2/c1-10(2)19-6-4-12(15(18)16(19)22)8-11(3)20-7-5-13(17)9-14(20)21/h4-7,9-11H,8H2,1-3H3
InChIKeyNMNMTNYFKLJHLF-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.67
Rot. Bonds4

About 3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one

3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one (PubChem CID 171846095) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one
PubChem CID171846095
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1ccc(CC(C)n2ccc(F)cc2=O)c(F)c1=O
InChIInChI=1S/C16H18F2N2O2/c1-10(2)19-6-4-12(15(18)16(19)22)8-11(3)20-7-5-13(17)9-14(20)21/h4-7,9-11H,8H2,1-3H3
InChIKeyNMNMTNYFKLJHLF-UHFFFAOYSA-N
XLogP2.67
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 138466467
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4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one
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2-oxo-1-propan-2-ylpyridine-4-carbohydrazide
CID 122507445
1-(4-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one
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3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82527159
1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol
CID 65149860
4-(1-aminocyclopropyl)-1-propan-2-ylpyridin-2-one
CID 105446426
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CID 23158301
2-(3-bromo-2-methylpentyl)-1,4-difluorobenzene
CID 63560139

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one (CID 171846095) is 3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one is CC(C)n1ccc(CC(C)n2ccc(F)cc2=O)c(F)c1=O.
What is the InChIKey of 3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is NMNMTNYFKLJHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-10(2)19-6-4-12(15(18)16(19)22)8-11(3)20-7-5-13(17)9-14(20)21/h4-7,9-11H,8H2,1-3H3.
What are the key properties of 3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one?
3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 308.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(4-fluoro-2-oxo-1-pyridinyl)propyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 171846095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).