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

C20H18ClF3N4O3 — CID 56928692

IUPAC4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)c1noc(CNC(=O)c2cc(-c3ccc(Cl)cc3)c(OCC(F)(F)F)cn2)n1
InChIInChI=1S/C20H18ClF3N4O3/c1-11(2)18-27-17(31-28-18)9-26-19(29)15-7-14(12-3-5-13(21)6-4-12)16(8-25-15)30-10-20(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,26,29)
InChIKeyXREIYFOTKTVAFK-UHFFFAOYSA-N
MW454.84 g/mol
LogP4.78
Rot. Bonds7

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

4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 56928692) has the molecular formula C20H18ClF3N4O3 and a molecular weight of 454.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID56928692
Molecular FormulaC20H18ClF3N4O3
Molecular Weight454.84 g/mol
Exact Mass454.10
IUPAC Name4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)c1noc(CNC(=O)c2cc(-c3ccc(Cl)cc3)c(OCC(F)(F)F)cn2)n1
InChIInChI=1S/C20H18ClF3N4O3/c1-11(2)18-27-17(31-28-18)9-26-19(29)15-7-14(12-3-5-13(21)6-4-12)16(8-25-15)30-10-20(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,26,29)
InChIKeyXREIYFOTKTVAFK-UHFFFAOYSA-N
XLogP4.78
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.84
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 56928692) is 4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CC(C)c1noc(CNC(=O)c2cc(-c3ccc(Cl)cc3)c(OCC(F)(F)F)cn2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is XREIYFOTKTVAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O3/c1-11(2)18-27-17(31-28-18)9-26-19(29)15-7-14(12-3-5-13(21)6-4-12)16(8-25-15)30-10-20(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,26,29).
What are the key properties of 4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 454.84 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 56928692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).