6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide

C136H143N35O9S — CID 162218373

IUPAC6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide
SMILESCc1noc(C)c1-c1cccc(C(=O)Nc2cnccc2N2CCNCC2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc[nH]c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(CN3CCOCC3)cc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(N3CCOCC3)nc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(C2=Cc3ccccc3C2)n1
InChIInChI=1S/C26H30N6O2.C24H27N7O2.C24H23N5O.C23H21N5OS.C20H22N6O2.C19H20N6O/c33-26(30-24-18-28-9-8-25(24)32-12-10-27-11-13-32)23-3-1-2-22(29-23)21-6-4-20(5-7-21)19-31-14-16-34-17-15-31;32-24(29-21-17-26-7-6-22(21)30-10-8-25-9-11-30)20-3-1-2-19(28-20)18-4-5-23(27-16-18)31-12-14-33-15-13-31;30-24(28-22-16-26-9-8-23(22)29-12-10-25-11-13-29)21-7-3-6-20(27-21)19-14-17-4-1-2-5-18(17)15-19;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;1-13-19(14(2)28-25-13)15-4-3-5-16(23-15)20(27)24-17-12-22-7-6-18(17)26-10-8-21-9-11-26;26-19(16-3-1-2-15(23-16)14-4-6-21-12-14)24-17-13-22-7-5-18(17)25-10-8-20-9-11-25/h1-9,18,27H,10-17,19H2,(H,30,33);1-7,16-17,25H,8-15H2,(H,29,32);1-9,14,16,25H,10-13,15H2,(H,28,30);1-9,14-15,24H,10-13H2,(H,27,29);3-7,12,21H,8-11H2,1-2H3,(H,24,27);1-7,12-13,20-21H,8-11H2,(H,24,26)
InChIKeyZTUAIAJTQXHVJY-UHFFFAOYSA-N
MW2443.94 g/mol
LogP16.47
Rot. Bonds27

About 6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide

6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide (PubChem CID 162218373) has the molecular formula C136H143N35O9S and a molecular weight of 2443.94 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide
PubChem CID162218373
Molecular FormulaC136H143N35O9S
Molecular Weight2443.94 g/mol
Exact Mass2442.15
IUPAC Name6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide
SMILESCc1noc(C)c1-c1cccc(C(=O)Nc2cnccc2N2CCNCC2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc[nH]c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(CN3CCOCC3)cc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(N3CCOCC3)nc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(C2=Cc3ccccc3C2)n1
InChIInChI=1S/C26H30N6O2.C24H27N7O2.C24H23N5O.C23H21N5OS.C20H22N6O2.C19H20N6O/c33-26(30-24-18-28-9-8-25(24)32-12-10-27-11-13-32)23-3-1-2-22(29-23)21-6-4-20(5-7-21)19-31-14-16-34-17-15-31;32-24(29-21-17-26-7-6-22(21)30-10-8-25-9-11-30)20-3-1-2-19(28-20)18-4-5-23(27-16-18)31-12-14-33-15-13-31;30-24(28-22-16-26-9-8-23(22)29-12-10-25-11-13-29)21-7-3-6-20(27-21)19-14-17-4-1-2-5-18(17)15-19;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;1-13-19(14(2)28-25-13)15-4-3-5-16(23-15)20(27)24-17-12-22-7-6-18(17)26-10-8-21-9-11-26;26-19(16-3-1-2-15(23-16)14-4-6-21-12-14)24-17-13-22-7-5-18(17)25-10-8-20-9-11-25/h1-9,18,27H,10-17,19H2,(H,30,33);1-7,16-17,25H,8-15H2,(H,29,32);1-9,14,16,25H,10-13,15H2,(H,28,30);1-9,14-15,24H,10-13H2,(H,27,29);3-7,12,21H,8-11H2,1-2H3,(H,24,27);1-7,12-13,20-21H,8-11H2,(H,24,26)
InChIKeyZTUAIAJTQXHVJY-UHFFFAOYSA-N
XLogP16.47
TPSA500.55 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds27
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002443.94
LogP ≤ 516.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Analyze 6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide with MolForge

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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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide (CID 162218373) is 6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide is Cc1noc(C)c1-c1cccc(C(=O)Nc2cnccc2N2CCNCC2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2cc[nH]c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(CN3CCOCC3)cc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc(N3CCOCC3)nc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(C2=Cc3ccccc3C2)n1.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide?
The InChIKey is ZTUAIAJTQXHVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2.C24H27N7O2.C24H23N5O.C23H21N5OS.C20H22N6O2.C19H20N6O/c33-26(30-24-18-28-9-8-25(24)32-12-10-27-11-13-32)23-3-1-2-22(29-23)21-6-4-20(5-7-21)19-31-14-16-34-17-15-31;32-24(29-21-17-26-7-6-22(21)30-10-8-25-9-11-30)20-3-1-2-19(28-20)18-4-5-23(27-16-18)31-12-14-33-15-13-31;30-24(28-22-16-26-9-8-23(22)29-12-10-25-11-13-29)21-7-3-6-20(27-21)19-14-17-4-1-2-5-18(17)15-19;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;1-13-19(14(2)28-25-13)15-4-3-5-16(23-15)20(27)24-17-12-22-7-6-18(17)26-10-8-21-9-11-26;26-19(16-3-1-2-15(23-16)14-4-6-21-12-14)24-17-13-22-7-5-18(17)25-10-8-20-9-11-25/h1-9,18,27H,10-17,19H2,(H,30,33);1-7,16-17,25H,8-15H2,(H,29,32);1-9,14,16,25H,10-13,15H2,(H,28,30);1-9,14-15,24H,10-13H2,(H,27,29);3-7,12,21H,8-11H2,1-2H3,(H,24,27);1-7,12-13,20-21H,8-11H2,(H,24,26).
What are the key properties of 6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide?
6-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide has a molecular weight of 2443.94 g/mol, XLogP of 16.47, 27 rotatable bonds, 13 hydrogen bond donors, and 38 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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[4-(morpholin-4-ylmethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-morpholin-4-yl-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 162218373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).