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

C19H13ClF6N4O3 — CID 56929276

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

4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 56929276) has the molecular formula C19H13ClF6N4O3 and a molecular weight of 494.78 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 56929276
• Molecular Formula: C19H13ClF6N4O3
• Molecular Weight: 494.78 g/mol
• Exact Mass: 494.06
• IUPAC Name: 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)NCc3nc(C(F)(F)F)no3)ncc2OCC(F)(F)F)ccc1Cl
• InChI: InChI=1S/C19H13ClF6N4O3/c1-9-4-10(2-3-12(9)20)11-5-13(27-6-14(11)32-8-18(21,22)23)16(31)28-7-15-29-17(30-33-15)19(24,25)26/h2-6H,7-8H2,1H3,(H,28,31)
• InChIKey: ATEUWQVRRXYZED-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.78
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (CID 56929276) is 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is Cc1cc(-c2cc(C(=O)NCc3nc(C(F)(F)F)no3)ncc2OCC(F)(F)F)ccc1Cl.

What is the InChIKey of 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?

The InChIKey is ATEUWQVRRXYZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF6N4O3/c1-9-4-10(2-3-12(9)20)11-5-13(27-6-14(11)32-8-18(21,22)23)16(31)28-7-15-29-17(30-33-15)19(24,25)26/h2-6H,7-8H2,1H3,(H,28,31).

What are the key properties of 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?

4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide has a molecular weight of 494.78 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chloro-3-methylphenyl)-5-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56929276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).