3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide

C16H16F2N4O2 — CID 153398206

IUPAC3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
SMILESN#CC1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1C#N
InChIInChI=1S/C16H16F2N4O2/c17-3-4-22-9-13(6-14(18)16(22)24)21-15(23)10-1-2-11(7-19)12(5-10)8-20/h6,9-12H,1-5H2,(H,21,23)
InChIKeyXGDSNUQMEGFAGB-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.98
Rot. Bonds4

About 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide

3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 153398206) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
PubChem CID153398206
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
SMILESN#CC1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1C#N
InChIInChI=1S/C16H16F2N4O2/c17-3-4-22-9-13(6-14(18)16(22)24)21-15(23)10-1-2-11(7-19)12(5-10)8-20/h6,9-12H,1-5H2,(H,21,23)
InChIKeyXGDSNUQMEGFAGB-UHFFFAOYSA-N
XLogP1.98
TPSA98.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 153397940
(1R)-5,5-difluoro-N-(1-methyl-2-oxo-4-pyridinyl)-2-octan-3-ylcyclohexane-1-carboxamide
CID 178020977
(2S)-2-cycloheptyl-5,5-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
CID 178021304
2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 178021620
1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen
CID 153397939
N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen
CID 153398196
3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen
CID 153398205
N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide
CID 153398197

Frequently Asked Questions

What is the IUPAC name of 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide (CID 153398206) is 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide is N#CC1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1C#N.
What is the InChIKey of 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is XGDSNUQMEGFAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-3-4-22-9-13(6-14(18)16(22)24)21-15(23)10-1-2-11(7-19)12(5-10)8-20/h6,9-12H,1-5H2,(H,21,23).
What are the key properties of 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 153398206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).