2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide

C19H14F3N3O3 — CID 171537835

IUPAC2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
SMILESCc1cc(-c2cc(Oc3cncc(OC(F)(F)F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C19H14F3N3O3/c1-11-6-12(2-3-16(11)18(23)26)17-8-13(4-5-25-17)27-14-7-15(10-24-9-14)28-19(20,21)22/h2-10H,1H3,(H2,23,26)
InChIKeyMDMDGRKUKKEEGU-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.24
Rot. Bonds5

About 2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide

2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide (PubChem CID 171537835) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
PubChem CID171537835
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
SMILESCc1cc(-c2cc(Oc3cncc(OC(F)(F)F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C19H14F3N3O3/c1-11-6-12(2-3-16(11)18(23)26)17-8-13(4-5-25-17)27-14-7-15(10-24-9-14)28-19(20,21)22/h2-10H,1H3,(H2,23,26)
InChIKeyMDMDGRKUKKEEGU-UHFFFAOYSA-N
XLogP4.24
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The IUPAC name of 2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide (CID 171537835) is 2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The canonical SMILES for 2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide is Cc1cc(-c2cc(Oc3cncc(OC(F)(F)F)c3)ccn2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The InChIKey is MDMDGRKUKKEEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c1-11-6-12(2-3-16(11)18(23)26)17-8-13(4-5-25-17)27-14-7-15(10-24-9-14)28-19(20,21)22/h2-10H,1H3,(H2,23,26).
What are the key properties of 2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide has a molecular weight of 389.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 171537835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).