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

C16H18F2N4O2 — CID 153398205

IUPAC3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen
SMILESN#CC1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1C#N.[H][H]
InChIInChI=1S/C16H16F2N4O2.H2/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);1H
InChIKeyVRBKILGILCCDFF-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.22
Rot. Bonds4

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

3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen (PubChem CID 153398205) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen
PubChem CID153398205
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen
SMILESN#CC1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1C#N.[H][H]
InChIInChI=1S/C16H16F2N4O2.H2/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);1H
InChIKeyVRBKILGILCCDFF-UHFFFAOYSA-N
XLogP2.22
TPSA98.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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;molecular hydrogen?
The IUPAC name of 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen (CID 153398205) is 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen is N#CC1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1C#N.[H][H].
What is the InChIKey of 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen?
The InChIKey is VRBKILGILCCDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2.H2/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);1H.
What are the key properties of 3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen?
3,4-dicyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen has a molecular weight of 336.34 g/mol, XLogP of 2.22, 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;molecular hydrogen is sourced from PubChem (CID 153398205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).