6-(1-benzothiophen-2-yl)-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-(1H-indol-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

C113H108N26O6S3 — CID 158998665

IUPAC6-(1-benzothiophen-2-yl)-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-(1H-indol-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
SMILESO=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(-c3ccccc3)s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc3c(c2)CCO3)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cccs2)n1
InChIInChI=1S/C25H23N5OS.C23H22N6O.C23H23N5O2.C23H21N5OS.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;30-23(28-21-15-25-9-8-22(21)29-12-10-24-11-13-29)19-7-3-6-18(27-19)20-14-16-4-1-2-5-17(16)26-20;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;29-23(27-19-15-25-9-8-20(19)28-12-10-24-11-13-28)18-6-3-5-17(26-18)22-14-16-4-1-2-7-21(16)30-22;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);1-9,14-15,24,26H,10-13H2,(H,28,30);1-6,8,14-15,24H,7,9-13H2,(H,27,29);1-9,14-15,24H,10-13H2,(H,27,29);1-7,12-13,20H,8-11H2,(H,23,25)
InChIKeyJRBJRPQBPFQZFH-UHFFFAOYSA-N
MW2022.48 g/mol
LogP17.45
Rot. Bonds21

About 6-(1-benzothiophen-2-yl)-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-(1H-indol-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-(1-benzothiophen-2-yl)-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-(1H-indol-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 158998665) has the molecular formula C113H108N26O6S3 and a molecular weight of 2022.48 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-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-(1H-indol-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 Name6-(1-benzothiophen-2-yl)-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-(1H-indol-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 CID158998665
Molecular FormulaC113H108N26O6S3
Molecular Weight2022.48 g/mol
Exact Mass2020.81
IUPAC Name6-(1-benzothiophen-2-yl)-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-(1H-indol-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
SMILESO=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(-c3ccccc3)s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc3c(c2)CCO3)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cccs2)n1
InChIInChI=1S/C25H23N5OS.C23H22N6O.C23H23N5O2.C23H21N5OS.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;30-23(28-21-15-25-9-8-22(21)29-12-10-24-11-13-29)19-7-3-6-18(27-19)20-14-16-4-1-2-5-17(16)26-20;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;29-23(27-19-15-25-9-8-20(19)28-12-10-24-11-13-28)18-6-3-5-17(26-18)22-14-16-4-1-2-7-21(16)30-22;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);1-9,14-15,24,26H,10-13H2,(H,28,30);1-6,8,14-15,24H,7,9-13H2,(H,27,29);1-9,14-15,24H,10-13H2,(H,27,29);1-7,12-13,20H,8-11H2,(H,23,25)
InChIKeyJRBJRPQBPFQZFH-UHFFFAOYSA-N
XLogP17.45
TPSA375.77 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002022.48
LogP ≤ 517.45
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze 6-(1-benzothiophen-2-yl)-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-(1H-indol-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-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-(1H-indol-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-(1-benzothiophen-2-yl)-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-(1H-indol-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 158998665) is 6-(1-benzothiophen-2-yl)-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-(1H-indol-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-(1-benzothiophen-2-yl)-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-(1H-indol-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-(1-benzothiophen-2-yl)-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-(1H-indol-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 O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc3ccccc3s2)n1.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-(1-benzothiophen-2-yl)-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-(1H-indol-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 JRBJRPQBPFQZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS.C23H22N6O.C23H23N5O2.C23H21N5OS.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;30-23(28-21-15-25-9-8-22(21)29-12-10-24-11-13-29)19-7-3-6-18(27-19)20-14-16-4-1-2-5-17(16)26-20;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;29-23(27-19-15-25-9-8-20(19)28-12-10-24-11-13-28)18-6-3-5-17(26-18)22-14-16-4-1-2-7-21(16)30-22;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);1-9,14-15,24,26H,10-13H2,(H,28,30);1-6,8,14-15,24H,7,9-13H2,(H,27,29);1-9,14-15,24H,10-13H2,(H,27,29);1-7,12-13,20H,8-11H2,(H,23,25).
What are the key properties of 6-(1-benzothiophen-2-yl)-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-(1H-indol-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-(1-benzothiophen-2-yl)-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-(1H-indol-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 2022.48 g/mol, XLogP of 17.45, 21 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-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-(1H-indol-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 158998665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).