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

C14H16F7N3O2 — CID 153398050

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)C1CNC(C(F)(F)F)C(F)C1.[H][H]
InChIInChI=1S/C14H14F7N3O2.H2/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);1H
InChIKeyYZCXAIAGAFUENP-UHFFFAOYSA-N
MW391.29 g/mol
LogP2.32
Rot. Bonds4

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

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen (PubChem CID 153398050) has the molecular formula C14H16F7N3O2 and a molecular weight of 391.29 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 hydrogen.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen
PubChem CID153398050
Molecular FormulaC14H16F7N3O2
Molecular Weight391.29 g/mol
Exact Mass391.11
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)C1CNC(C(F)(F)F)C(F)C1.[H][H]
InChIInChI=1S/C14H14F7N3O2.H2/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);1H
InChIKeyYZCXAIAGAFUENP-UHFFFAOYSA-N
XLogP2.32
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)-4-(trifluoromethyl)piperidine-2-carboxamide
CID 146323243
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
CID 153398051
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
CID 153398173
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 53507231
6-Methyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 60517226
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 119593999
N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 146122957
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

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;molecular hydrogen?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen (CID 153398050) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)C1CNC(C(F)(F)F)C(F)C1.[H][H].
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen?
The InChIKey is YZCXAIAGAFUENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F7N3O2.H2/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);1H.
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen has a molecular weight of 391.29 g/mol, XLogP of 2.32, 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;molecular hydrogen is sourced from PubChem (CID 153398050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).