2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide

C23H16F2N4O2 — CID 45274036

IUPAC2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide
SMILESCc1ccc(Oc2ccccn2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H16F2N4O2/c1-14-8-9-15(31-21-7-2-3-10-26-21)11-16(14)19-12-28-20(13-27-19)29-23(30)22-17(24)5-4-6-18(22)25/h2-13H,1H3,(H,28,29,30)
InChIKeyQIBNBAONZAQICJ-UHFFFAOYSA-N
MW418.40 g/mol
LogP5.17
Rot. Bonds5

About 2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide

2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide (PubChem CID 45274036) has the molecular formula C23H16F2N4O2 and a molecular weight of 418.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide
PubChem CID45274036
Molecular FormulaC23H16F2N4O2
Molecular Weight418.40 g/mol
Exact Mass418.12
IUPAC Name2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide
SMILESCc1ccc(Oc2ccccn2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H16F2N4O2/c1-14-8-9-15(31-21-7-2-3-10-26-21)11-16(14)19-12-28-20(13-27-19)29-23(30)22-17(24)5-4-6-18(22)25/h2-13H,1H3,(H,28,29,30)
InChIKeyQIBNBAONZAQICJ-UHFFFAOYSA-N
XLogP5.17
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide (CID 45274036) is 2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide is Cc1ccc(Oc2ccccn2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide?
The InChIKey is QIBNBAONZAQICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O2/c1-14-8-9-15(31-21-7-2-3-10-26-21)11-16(14)19-12-28-20(13-27-19)29-23(30)22-17(24)5-4-6-18(22)25/h2-13H,1H3,(H,28,29,30).
What are the key properties of 2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide has a molecular weight of 418.40 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 45274036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).