5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide

C18H11ClF6N4O3 — CID 56928274

IUPAC5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H11ClF6N4O3/c19-11-3-1-9(2-4-11)12-5-10(6-27-15(12)31-8-17(20,21)22)14(30)26-7-13-28-16(29-32-13)18(23,24)25/h1-6H,7-8H2,(H,26,30)
InChIKeyWQHZLGMHDUXYRP-UHFFFAOYSA-N
MW480.75 g/mol
LogP4.67
Rot. Bonds6

About 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide

5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 56928274) has the molecular formula C18H11ClF6N4O3 and a molecular weight of 480.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID56928274
Molecular FormulaC18H11ClF6N4O3
Molecular Weight480.75 g/mol
Exact Mass480.04
IUPAC Name5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H11ClF6N4O3/c19-11-3-1-9(2-4-11)12-5-10(6-27-15(12)31-8-17(20,21)22)14(30)26-7-13-28-16(29-32-13)18(23,24)25/h1-6H,7-8H2,(H,26,30)
InChIKeyWQHZLGMHDUXYRP-UHFFFAOYSA-N
XLogP4.67
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.75
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide (CID 56928274) is 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide is O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is WQHZLGMHDUXYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF6N4O3/c19-11-3-1-9(2-4-11)12-5-10(6-27-15(12)31-8-17(20,21)22)14(30)26-7-13-28-16(29-32-13)18(23,24)25/h1-6H,7-8H2,(H,26,30).
What are the key properties of 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 480.75 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56928274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).