3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

C35H27F3N8O4 — CID 123936752

IUPAC3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1
InChIInChI=1S/C18H13F3N4O2.C17H14N4O2/c1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21;1-12-4-2-5-13(8-12)17(22)21-15-10-19-11-16(20-15)23-14-6-3-7-18-9-14/h2-10H,1H3,(H,24,25,26);2-11H,1H3,(H,20,21,22)
InChIKeyFNZFBMURDBVHFY-UHFFFAOYSA-N
MW680.65 g/mol
LogP7.47
Rot. Bonds8

About 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (PubChem CID 123936752) has the molecular formula C35H27F3N8O4 and a molecular weight of 680.65 g/mol. Its IUPAC name is 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
PubChem CID123936752
Molecular FormulaC35H27F3N8O4
Molecular Weight680.65 g/mol
Exact Mass680.21
IUPAC Name3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1
InChIInChI=1S/C18H13F3N4O2.C17H14N4O2/c1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21;1-12-4-2-5-13(8-12)17(22)21-15-10-19-11-16(20-15)23-14-6-3-7-18-9-14/h2-10H,1H3,(H,24,25,26);2-11H,1H3,(H,20,21,22)
InChIKeyFNZFBMURDBVHFY-UHFFFAOYSA-N
XLogP7.47
TPSA154.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.65
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The IUPAC name of 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (CID 123936752) is 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1.
What is the InChIKey of 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The InChIKey is FNZFBMURDBVHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2.C17H14N4O2/c1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21;1-12-4-2-5-13(8-12)17(22)21-15-10-19-11-16(20-15)23-14-6-3-7-18-9-14/h2-10H,1H3,(H,24,25,26);2-11H,1H3,(H,20,21,22).
What are the key properties of 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide has a molecular weight of 680.65 g/mol, XLogP of 7.47, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 123936752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).