2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide

C22H14F3N5O2 — CID 70978212

IUPAC2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide
SMILESCc1ncc(Oc2ncccc2F)cc1-c1cnc(NC(=O)c2cccc(F)c2F)cn1
InChIInChI=1S/C22H14F3N5O2/c1-12-15(8-13(9-27-12)32-22-17(24)6-3-7-26-22)18-10-29-19(11-28-18)30-21(31)14-4-2-5-16(23)20(14)25/h2-11H,1H3,(H,29,30,31)
InChIKeyJMYXPNHKZBLDLN-UHFFFAOYSA-N
MW437.38 g/mol
LogP4.70
Rot. Bonds5

About 2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide

2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide (PubChem CID 70978212) has the molecular formula C22H14F3N5O2 and a molecular weight of 437.38 g/mol. Its IUPAC name is 2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide
PubChem CID70978212
Molecular FormulaC22H14F3N5O2
Molecular Weight437.38 g/mol
Exact Mass437.11
IUPAC Name2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide
SMILESCc1ncc(Oc2ncccc2F)cc1-c1cnc(NC(=O)c2cccc(F)c2F)cn1
InChIInChI=1S/C22H14F3N5O2/c1-12-15(8-13(9-27-12)32-22-17(24)6-3-7-26-22)18-10-29-19(11-28-18)30-21(31)14-4-2-5-16(23)20(14)25/h2-11H,1H3,(H,29,30,31)
InChIKeyJMYXPNHKZBLDLN-UHFFFAOYSA-N
XLogP4.70
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide?
The IUPAC name of 2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide (CID 70978212) is 2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide is Cc1ncc(Oc2ncccc2F)cc1-c1cnc(NC(=O)c2cccc(F)c2F)cn1.
What is the InChIKey of 2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide?
The InChIKey is JMYXPNHKZBLDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O2/c1-12-15(8-13(9-27-12)32-22-17(24)6-3-7-26-22)18-10-29-19(11-28-18)30-21(31)14-4-2-5-16(23)20(14)25/h2-11H,1H3,(H,29,30,31).
What are the key properties of 2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide?
2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide has a molecular weight of 437.38 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methyl-3-pyridinyl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 70978212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).