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

C18H13F3N4O2 — CID 58349142

IUPAC3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C18H13F3N4O2/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/h2-10H,1H3,(H,24,25,26)
InChIKeyFNLIOTQQBGWBIR-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.24
Rot. Bonds4

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

3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (PubChem CID 58349142) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
PubChem CID58349142
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C18H13F3N4O2/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/h2-10H,1H3,(H,24,25,26)
InChIKeyFNLIOTQQBGWBIR-UHFFFAOYSA-N
XLogP4.24
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (CID 58349142) is 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The canonical SMILES for 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.
What is the InChIKey of 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The InChIKey is FNLIOTQQBGWBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/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/h2-10H,1H3,(H,24,25,26).
What are the key properties of 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide has a molecular weight of 374.32 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58349142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).