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

C18H11ClF6N4O3 — CID 56928381

IUPAC6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)c1ccc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H11ClF6N4O3/c19-10-3-1-9(2-4-10)14-12(31-8-17(20,21)22)6-5-11(27-14)15(30)26-7-13-28-16(29-32-13)18(23,24)25/h1-6H,7-8H2,(H,26,30)
InChIKeyVAGDMBPNCHKECM-UHFFFAOYSA-N
MW480.75 g/mol
LogP4.67
Rot. Bonds6

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

6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 56928381) has the molecular formula C18H11ClF6N4O3 and a molecular weight of 480.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
PubChem CID56928381
Molecular FormulaC18H11ClF6N4O3
Molecular Weight480.75 g/mol
Exact Mass480.04
IUPAC Name6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)c1ccc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H11ClF6N4O3/c19-10-3-1-9(2-4-10)14-12(31-8-17(20,21)22)6-5-11(27-14)15(30)26-7-13-28-16(29-32-13)18(23,24)25/h1-6H,7-8H2,(H,26,30)
InChIKeyVAGDMBPNCHKECM-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 6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (CID 56928381) is 6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is O=C(NCc1nc(C(F)(F)F)no1)c1ccc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The InChIKey is VAGDMBPNCHKECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF6N4O3/c19-10-3-1-9(2-4-10)14-12(31-8-17(20,21)22)6-5-11(27-14)15(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 6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-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 6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56928381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).