2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide

C23H16F2N4OS — CID 45280646

IUPAC2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide
SMILESC=C(C)c1sc(-c2cccnc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H16F2N4OS/c1-13(2)22-15(9-19(31-22)14-5-4-8-26-10-14)18-11-28-20(12-27-18)29-23(30)21-16(24)6-3-7-17(21)25/h3-12H,1H2,2H3,(H,28,29,30)
InChIKeyOTHYKDJSCNDWJY-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.83
Rot. Bonds5

About 2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide

2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide (PubChem CID 45280646) has the molecular formula C23H16F2N4OS and a molecular weight of 434.47 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide
PubChem CID45280646
Molecular FormulaC23H16F2N4OS
Molecular Weight434.47 g/mol
Exact Mass434.10
IUPAC Name2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide
SMILESC=C(C)c1sc(-c2cccnc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H16F2N4OS/c1-13(2)22-15(9-19(31-22)14-5-4-8-26-10-14)18-11-28-20(12-27-18)29-23(30)21-16(24)6-3-7-17(21)25/h3-12H,1H2,2H3,(H,28,29,30)
InChIKeyOTHYKDJSCNDWJY-UHFFFAOYSA-N
XLogP5.83
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.83
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-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide (CID 45280646) is 2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide is C=C(C)c1sc(-c2cccnc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide?
The InChIKey is OTHYKDJSCNDWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4OS/c1-13(2)22-15(9-19(31-22)14-5-4-8-26-10-14)18-11-28-20(12-27-18)29-23(30)21-16(24)6-3-7-17(21)25/h3-12H,1H2,2H3,(H,28,29,30).
What are the key properties of 2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide has a molecular weight of 434.47 g/mol, XLogP of 5.83, 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-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 45280646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).