1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one

C20H26F2N2O2 — CID 178099278

IUPAC1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one
SMILESCCn1cc(F)cc(C(C)CCCn2ccc(F)c(C(C)C)c2=O)c1=O
InChIInChI=1S/C20H26F2N2O2/c1-5-23-12-15(21)11-16(19(23)25)14(4)7-6-9-24-10-8-17(22)18(13(2)3)20(24)26/h8,10-14H,5-7,9H2,1-4H3
InChIKeyVURGUGDIGZBGCD-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.02
Rot. Bonds7

About 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one

1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one (PubChem CID 178099278) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one
PubChem CID178099278
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one
SMILESCCn1cc(F)cc(C(C)CCCn2ccc(F)c(C(C)C)c2=O)c1=O
InChIInChI=1S/C20H26F2N2O2/c1-5-23-12-15(21)11-16(19(23)25)14(4)7-6-9-24-10-8-17(22)18(13(2)3)20(24)26/h8,10-14H,5-7,9H2,1-4H3
InChIKeyVURGUGDIGZBGCD-UHFFFAOYSA-N
XLogP4.02
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one with MolForge

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Related Compounds

5-[2-(5-Fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one
CID 130388598
(4,4-Difluorocyclohexyl)-butyl-2-oxopyridine-1-carboxylate
CID 131746540
1,6-Dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 134418673
5-Tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one
CID 146228198
1-Ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one
CID 154966362
5-Tert-butyl-1-(difluoromethyl)-3-[2-[[5-(2-methylpentan-2-yl)-2-oxo-1-pyridinyl]methyl]cyclopropyl]pyridin-2-one
CID 155369948
5-Tert-butyl-1-(difluoromethyl)-3-[2-[(2-oxo-5-propan-2-yl-1-pyridinyl)methyl]cyclopropyl]pyridin-2-one
CID 156124260
3-Ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one
CID 167006043
3-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one
CID 175621160
3-Butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one
CID 178099166
3-Butan-2-yl-1-(2,2-difluoroethyl)-5-fluoropyridin-2-one
CID 178099450
(4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one
CID 146164646

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one (CID 178099278) is 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one is CCn1cc(F)cc(C(C)CCCn2ccc(F)c(C(C)C)c2=O)c1=O.
What is the InChIKey of 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one?
The InChIKey is VURGUGDIGZBGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c1-5-23-12-15(21)11-16(19(23)25)14(4)7-6-9-24-10-8-17(22)18(13(2)3)20(24)26/h8,10-14H,5-7,9H2,1-4H3.
What are the key properties of 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one?
1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one has a molecular weight of 364.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178099278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).