3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide

C17H10FN5O2 — CID 118707798

IUPAC3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)c1
InChIInChI=1S/C17H10FN5O2/c18-13-5-14(8-20-7-13)25-16-10-21-9-15(22-16)23-17(24)12-3-1-2-11(4-12)6-19/h1-5,7-10H,(H,22,23,24)
InChIKeySEVIBUIIOBLDQM-UHFFFAOYSA-N
MW335.30 g/mol
LogP2.93
Rot. Bonds4

About 3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide

3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide (PubChem CID 118707798) has the molecular formula C17H10FN5O2 and a molecular weight of 335.30 g/mol. Its IUPAC name is 3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
PubChem CID118707798
Molecular FormulaC17H10FN5O2
Molecular Weight335.30 g/mol
Exact Mass335.08
IUPAC Name3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)c1
InChIInChI=1S/C17H10FN5O2/c18-13-5-14(8-20-7-13)25-16-10-21-9-15(22-16)23-17(24)12-3-1-2-11(4-12)6-19/h1-5,7-10H,(H,22,23,24)
InChIKeySEVIBUIIOBLDQM-UHFFFAOYSA-N
XLogP2.93
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 52.93
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-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide (CID 118707798) is 3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)c1.
What is the InChIKey of 3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
The InChIKey is SEVIBUIIOBLDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5O2/c18-13-5-14(8-20-7-13)25-16-10-21-9-15(22-16)23-17(24)12-3-1-2-11(4-12)6-19/h1-5,7-10H,(H,22,23,24).
What are the key properties of 3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide?
3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide has a molecular weight of 335.30 g/mol, XLogP of 2.93, 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-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 118707798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).