3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C131H122N42O18S — CID 158278520

About 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 158278520) has the molecular formula C131H122N42O18S and a molecular weight of 2604.76 g/mol. Its IUPAC name is 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
• PubChem CID: 158278520
• Molecular Formula: C131H122N42O18S
• Molecular Weight: 2604.76 g/mol
• Exact Mass: 2602.96
• IUPAC Name: 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
• SMILES: C=CCCOC(C)C(=O)CC1=CN=C(c2ccccn2)C1.COc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC.COc1ccccc1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1c(C(=O)NC2=NN=C(c3ccccn3)C2)oc2c1C(=O)CCC2.Cc1nc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.Cn1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1=O.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Cn2ccccc2=O)o1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Cn2cncn2)cc1
• InChI: InChI=1S/C18H14N6O3.C18H19N5O4.C18H16N4O3.C17H14N8O.C17H20N2O2.C16H15N5O2.C14H12N6O2.C13H12N6OS/c25-15-6-2-4-10-24(15)11-12-7-8-14(27-12)17(26)21-18-20-16(22-23-18)13-5-1-3-9-19-13;1-25-13-8-11(9-14(26-2)16(13)27-3)10-15(24)20-18-21-17(22-23-18)12-6-4-5-7-19-12;1-10-16-13(23)6-4-7-14(16)25-17(10)18(24)20-15-9-12(21-22-15)11-5-2-3-8-19-11;26-16(13-6-4-12(5-7-13)9-25-11-18-10-20-25)22-17-21-15(23-24-17)14-3-1-2-8-19-14;1-3-4-9-21-13(2)17(20)11-14-10-16(19-12-14)15-7-5-6-8-18-15;1-23-13-8-3-2-6-11(13)10-14(22)18-16-19-15(20-21-16)12-7-4-5-9-17-12;1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10;1-8-15-9(7-21-8)6-11(20)16-13-17-12(18-19-13)10-4-2-3-5-14-10/h1-10H,11H2,(H2,20,21,22,23,26);4-9H,10H2,1-3H3,(H2,20,21,22,23,24);2-3,5,8H,4,6-7,9H2,1H3,(H,20,22,24);1-8,10-11H,9H2,(H2,21,22,23,24,26);3,5-8,12-13H,1,4,9-11H2,2H3;2-9H,10H2,1H3,(H2,18,19,20,21,22);2-8H,1H3,(H2,16,17,18,19,22);2-5,7H,6H2,1H3,(H2,16,17,18,19,20)
• InChIKey: GJXLRMLRFQYZKE-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 787.49 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 48
• Rotatable Bonds: 39
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2604.76
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

The IUPAC name of 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 158278520) is 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

What is the SMILES notation for 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

The canonical SMILES for 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is C=CCCOC(C)C(=O)CC1=CN=C(c2ccccn2)C1.COc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC.COc1ccccc1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1c(C(=O)NC2=NN=C(c3ccccn3)C2)oc2c1C(=O)CCC2.Cc1nc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.Cn1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1=O.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Cn2ccccc2=O)o1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Cn2cncn2)cc1.

What is the InChIKey of 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

The InChIKey is GJXLRMLRFQYZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3.C18H19N5O4.C18H16N4O3.C17H14N8O.C17H20N2O2.C16H15N5O2.C14H12N6O2.C13H12N6OS/c25-15-6-2-4-10-24(15)11-12-7-8-14(27-12)17(26)21-18-20-16(22-23-18)13-5-1-3-9-19-13;1-25-13-8-11(9-14(26-2)16(13)27-3)10-15(24)20-18-21-17(22-23-18)12-6-4-5-7-19-12;1-10-16-13(23)6-4-7-14(16)25-17(10)18(24)20-15-9-12(21-22-15)11-5-2-3-8-19-11;26-16(13-6-4-12(5-7-13)9-25-11-18-10-20-25)22-17-21-15(23-24-17)14-3-1-2-8-19-14;1-3-4-9-21-13(2)17(20)11-14-10-16(19-12-14)15-7-5-6-8-18-15;1-23-13-8-3-2-6-11(13)10-14(22)18-16-19-15(20-21-16)12-7-4-5-9-17-12;1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10;1-8-15-9(7-21-8)6-11(20)16-13-17-12(18-19-13)10-4-2-3-5-14-10/h1-10H,11H2,(H2,20,21,22,23,26);4-9H,10H2,1-3H3,(H2,20,21,22,23,24);2-3,5,8H,4,6-7,9H2,1H3,(H,20,22,24);1-8,10-11H,9H2,(H2,21,22,23,24,26);3,5-8,12-13H,1,4,9-11H2,2H3;2-9H,10H2,1H3,(H2,18,19,20,21,22);2-8H,1H3,(H2,16,17,18,19,22);2-5,7H,6H2,1H3,(H2,16,17,18,19,20).

What are the key properties of 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 2604.76 g/mol, XLogP of 15.98, 39 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 3-but-3-enoxy-1-(2-pyridin-2-yl-3H-pyrrol-4-yl)butan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 158278520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).