(E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide

C74H60F6N20O5S — CID 159424662

About (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide

(E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 159424662) has the molecular formula C74H60F6N20O5S and a molecular weight of 1455.48 g/mol. Its IUPAC name is (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide
• PubChem CID: 159424662
• Molecular Formula: C74H60F6N20O5S
• Molecular Weight: 1455.48 g/mol
• Exact Mass: 1454.47
• IUPAC Name: (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide
• SMILES: Cc1cc(-c2ncn(/C=C(/C(N)=O)c3ccoc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C(/C(N)=O)c3nccs3)n2)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2ncn(/C=C(/C(N)=O)c3cnc4ccccc4c3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C(/C(N)=O)c3cncc(C#N)c3)n2)c1
• InChI: InChI=1S/C22H19N5O.C19H16N6O.C17H13F3N4O2.C16H12F3N5OS/c1-14-7-15(2)9-17(8-14)22-25-13-27(26-22)12-19(21(23)28)18-10-16-5-3-4-6-20(16)24-11-18;1-12-3-13(2)5-15(4-12)19-23-11-25(24-19)10-17(18(21)26)16-6-14(7-20)8-22-9-16;1-10-4-12(6-13(5-10)17(18,19)20)16-22-9-24(23-16)7-14(15(21)25)11-2-3-26-8-11;1-9-4-10(6-11(5-9)16(17,18)19)14-22-8-24(23-14)7-12(13(20)25)15-21-2-3-26-15/h3-13H,1-2H3,(H2,23,28);3-6,8-11H,1-2H3,(H2,21,26);2-9H,1H3,(H2,21,25);2-8H,1H3,(H2,20,25)/b19-12+;17-10+;14-7+;12-7-
• InChIKey: LQEUUUWPRCQVLH-YQPAQGBBSA-N
• XLogP: 12.47
• TPSA: 370.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1455.48
LogP ≤ 5	12.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide?

The IUPAC name of (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide (CID 159424662) is (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide.

What is the SMILES notation for (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide?

The canonical SMILES for (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide is Cc1cc(-c2ncn(/C=C(/C(N)=O)c3ccoc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C(/C(N)=O)c3nccs3)n2)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2ncn(/C=C(/C(N)=O)c3cnc4ccccc4c3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C(/C(N)=O)c3cncc(C#N)c3)n2)c1.

What is the InChIKey of (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide?

The InChIKey is LQEUUUWPRCQVLH-YQPAQGBBSA-N. The full InChI is InChI=1S/C22H19N5O.C19H16N6O.C17H13F3N4O2.C16H12F3N5OS/c1-14-7-15(2)9-17(8-14)22-25-13-27(26-22)12-19(21(23)28)18-10-16-5-3-4-6-20(16)24-11-18;1-12-3-13(2)5-15(4-12)19-23-11-25(24-19)10-17(18(21)26)16-6-14(7-20)8-22-9-16;1-10-4-12(6-13(5-10)17(18,19)20)16-22-9-24(23-16)7-14(15(21)25)11-2-3-26-8-11;1-9-4-10(6-11(5-9)16(17,18)19)14-22-8-24(23-14)7-12(13(20)25)15-21-2-3-26-15/h3-13H,1-2H3,(H2,23,28);3-6,8-11H,1-2H3,(H2,21,26);2-9H,1H3,(H2,21,25);2-8H,1H3,(H2,20,25)/b19-12+;17-10+;14-7+;12-7-.

What are the key properties of (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide?

(E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 1455.48 g/mol, XLogP of 12.47, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-(5-cyano-3-pyridinyl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-quinolin-3-ylprop-2-enamide;(E)-2-(furan-3-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 159424662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).