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

C39H31Cl2F6N7O6 — CID 159153975

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

4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 159153975) has the molecular formula C39H31Cl2F6N7O6 and a molecular weight of 878.61 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
• PubChem CID: 159153975
• Molecular Formula: C39H31Cl2F6N7O6
• Molecular Weight: 878.61 g/mol
• Exact Mass: 877.16
• IUPAC Name: 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
• SMILES: Cc1cc(CNC(=O)c2cc(-c3ccc(Cl)cc3)c(OCC(F)(F)F)cn2)no1.O=C(NCc1nc(C(F)(F)F)no1)c1cc(-c2ccc(Cl)cc2)c(OCC2CC2)cn1
• InChI: InChI=1S/C20H16ClF3N4O3.C19H15ClF3N3O3/c21-13-5-3-12(4-6-13)14-7-15(25-8-16(14)30-10-11-1-2-11)18(29)26-9-17-27-19(28-31-17)20(22,23)24;1-11-6-14(26-29-11)8-25-18(27)16-7-15(12-2-4-13(20)5-3-12)17(9-24-16)28-10-19(21,22)23/h3-8,11H,1-2,9-10H2,(H,26,29);2-7,9H,8,10H2,1H3,(H,25,27)
• InChIKey: KJQRZSGTPUJIFR-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 167.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	878.61
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 159153975) is 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

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

The canonical SMILES for 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is Cc1cc(CNC(=O)c2cc(-c3ccc(Cl)cc3)c(OCC(F)(F)F)cn2)no1.O=C(NCc1nc(C(F)(F)F)no1)c1cc(-c2ccc(Cl)cc2)c(OCC2CC2)cn1.

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

The InChIKey is KJQRZSGTPUJIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3.C19H15ClF3N3O3/c21-13-5-3-12(4-6-13)14-7-15(25-8-16(14)30-10-11-1-2-11)18(29)26-9-17-27-19(28-31-17)20(22,23)24;1-11-6-14(26-29-11)8-25-18(27)16-7-15(12-2-4-13(20)5-3-12)17(9-24-16)28-10-19(21,22)23/h3-8,11H,1-2,9-10H2,(H,26,29);2-7,9H,8,10H2,1H3,(H,25,27).

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

4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 878.61 g/mol, XLogP of 9.09, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 159153975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).