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

C19H14F3N3O2 — CID 51037935

IUPAC3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C19H14F3N3O2/c1-12-4-2-5-13(10-12)18(26)25-16-6-3-7-17(24-16)27-14-8-9-15(23-11-14)19(20,21)22/h2-11H,1H3,(H,24,25,26)
InChIKeyGKRVBHHLRAJEHQ-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.85
Rot. Bonds4

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

3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide (PubChem CID 51037935) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
PubChem CID51037935
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C19H14F3N3O2/c1-12-4-2-5-13(10-12)18(26)25-16-6-3-7-17(24-16)27-14-8-9-15(23-11-14)19(20,21)22/h2-11H,1H3,(H,24,25,26)
InChIKeyGKRVBHHLRAJEHQ-UHFFFAOYSA-N
XLogP4.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The IUPAC name of 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide (CID 51037935) is 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The canonical SMILES for 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide is Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1.
What is the InChIKey of 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The InChIKey is GKRVBHHLRAJEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-12-4-2-5-13(10-12)18(26)25-16-6-3-7-17(24-16)27-14-8-9-15(23-11-14)19(20,21)22/h2-11H,1H3,(H,24,25,26).
What are the key properties of 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide has a molecular weight of 373.33 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 51037935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).