N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide

C14H14F7N3O2 — CID 153398051

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)C1CNC(C(F)(F)F)C(F)C1
InChIInChI=1S/C14H14F7N3O2/c15-8-1-6(3-22-11(8)14(19,20)21)12(25)23-7-2-9(16)13(26)24(4-7)5-10(17)18/h2,4,6,8,10-11,22H,1,3,5H2,(H,23,25)
InChIKeyOSDSKWXXHJINIE-UHFFFAOYSA-N
MW389.27 g/mol
LogP2.07
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 153398051) has the molecular formula C14H14F7N3O2 and a molecular weight of 389.27 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID153398051
Molecular FormulaC14H14F7N3O2
Molecular Weight389.27 g/mol
Exact Mass389.10
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)C1CNC(C(F)(F)F)C(F)C1
InChIInChI=1S/C14H14F7N3O2/c15-8-1-6(3-22-11(8)14(19,20)21)12(25)23-7-2-9(16)13(26)24(4-7)5-10(17)18/h2,4,6,8,10-11,22H,1,3,5H2,(H,23,25)
InChIKeyOSDSKWXXHJINIE-UHFFFAOYSA-N
XLogP2.07
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 146323231
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 146323245
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen
CID 153398050
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
CID 153398173
6-Methyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 60517226
N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
CID 54862491
N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide
CID 54862516
N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
CID 54863043
1-[3-(5-Amino-2-oxo-1-pyridinyl)propyl]-6-methylpiperidine-3-carboxamide
CID 61572862
N-(1-methyl-6-oxo-3-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 75267524
(3R)-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide
CID 81124063
(3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
CID 81124827

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide (CID 153398051) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)C1CNC(C(F)(F)F)C(F)C1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is OSDSKWXXHJINIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F7N3O2/c15-8-1-6(3-22-11(8)14(19,20)21)12(25)23-7-2-9(16)13(26)24(4-7)5-10(17)18/h2,4,6,8,10-11,22H,1,3,5H2,(H,23,25).
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 389.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 153398051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).