3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

C18H10F3N5O2 — CID 51038156

IUPAC3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C18H10F3N5O2/c19-18(20,21)14-5-4-13(8-24-14)28-16-10-23-9-15(25-16)26-17(27)12-3-1-2-11(6-12)7-22/h1-6,8-10H,(H,25,26,27)
InChIKeyMMCIQRLEKIZUGR-UHFFFAOYSA-N
MW385.31 g/mol
LogP3.81
Rot. Bonds4

About 3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (PubChem CID 51038156) has the molecular formula C18H10F3N5O2 and a molecular weight of 385.31 g/mol. Its IUPAC name is 3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
PubChem CID51038156
Molecular FormulaC18H10F3N5O2
Molecular Weight385.31 g/mol
Exact Mass385.08
IUPAC Name3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C18H10F3N5O2/c19-18(20,21)14-5-4-13(8-24-14)28-16-10-23-9-15(25-16)26-17(27)12-3-1-2-11(6-12)7-22/h1-6,8-10H,(H,25,26,27)
InChIKeyMMCIQRLEKIZUGR-UHFFFAOYSA-N
XLogP3.81
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (CID 51038156) is 3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1.
What is the InChIKey of 3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The InChIKey is MMCIQRLEKIZUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5O2/c19-18(20,21)14-5-4-13(8-24-14)28-16-10-23-9-15(25-16)26-17(27)12-3-1-2-11(6-12)7-22/h1-6,8-10H,(H,25,26,27).
What are the key properties of 3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide has a molecular weight of 385.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 51038156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).