6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide

C108H108N26O6S3 — CID 159756959

About 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide

6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide (PubChem CID 159756959) has the molecular formula C108H108N26O6S3 and a molecular weight of 1962.43 g/mol. Its IUPAC name is 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
• PubChem CID: 159756959
• Molecular Formula: C108H108N26O6S3
• Molecular Weight: 1962.43 g/mol
• Exact Mass: 1960.81
• IUPAC Name: 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
• SMILES: Cc1ccc(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)s1.Nc1ccc(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(-c3ccccc3)s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc3c(c2)CCO3)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cccs2)n1
• InChI: InChI=1S/C25H23N5OS.C23H23N5O2.C21H22N6O.C20H21N5OS.C19H19N5OS/c31-25(29-21-17-27-12-11-22(21)30-15-13-26-14-16-30)20-8-4-7-19(28-20)24-10-9-23(32-24)18-5-2-1-3-6-18;29-23(27-20-15-25-8-6-21(20)28-11-9-24-10-12-28)19-3-1-2-18(26-19)16-4-5-22-17(14-16)7-13-30-22;22-16-6-4-15(5-7-16)17-2-1-3-18(25-17)21(28)26-19-14-24-9-8-20(19)27-12-10-23-11-13-27;1-14-5-6-19(27-14)15-3-2-4-16(23-15)20(26)24-17-13-22-8-7-18(17)25-11-9-21-10-12-25;25-19(15-4-1-3-14(22-15)18-5-2-12-26-18)23-16-13-21-7-6-17(16)24-10-8-20-9-11-24/h1-12,17,26H,13-16H2,(H,29,31);1-6,8,14-15,24H,7,9-13H2,(H,27,29);1-9,14,23H,10-13,22H2,(H,26,28);2-8,13,21H,9-12H2,1H3,(H,24,26);1-7,12-13,20H,8-11H2,(H,23,25)
• InChIKey: NEJSXXPBZAPWAB-UHFFFAOYSA-N
• XLogP: 15.70
• TPSA: 386.00 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1962.43
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide?

The IUPAC name of 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide (CID 159756959) is 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide.

What is the SMILES notation for 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide?

The canonical SMILES for 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide is Cc1ccc(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)s1.Nc1ccc(-c2cccc(C(=O)Nc3cnccc3N3CCNCC3)n2)cc1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(-c3ccccc3)s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc3c(c2)CCO3)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cccs2)n1.

What is the InChIKey of 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide?

The InChIKey is NEJSXXPBZAPWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS.C23H23N5O2.C21H22N6O.C20H21N5OS.C19H19N5OS/c31-25(29-21-17-27-12-11-22(21)30-15-13-26-14-16-30)20-8-4-7-19(28-20)24-10-9-23(32-24)18-5-2-1-3-6-18;29-23(27-20-15-25-8-6-21(20)28-11-9-24-10-12-28)19-3-1-2-18(26-19)16-4-5-22-17(14-16)7-13-30-22;22-16-6-4-15(5-7-16)17-2-1-3-18(25-17)21(28)26-19-14-24-9-8-20(19)27-12-10-23-11-13-27;1-14-5-6-19(27-14)15-3-2-4-16(23-15)20(26)24-17-13-22-8-7-18(17)25-11-9-21-10-12-25;25-19(15-4-1-3-14(22-15)18-5-2-12-26-18)23-16-13-21-7-6-17(16)24-10-8-20-9-11-24/h1-12,17,26H,13-16H2,(H,29,31);1-6,8,14-15,24H,7,9-13H2,(H,27,29);1-9,14,23H,10-13,22H2,(H,26,28);2-8,13,21H,9-12H2,1H3,(H,24,26);1-7,12-13,20H,8-11H2,(H,23,25).

What are the key properties of 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide?

6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide has a molecular weight of 1962.43 g/mol, XLogP of 15.70, 21 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 159756959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).