C188H226N22O26S — CID 163482674
(E)-2-cyano-N-(3-hydroxy-2-methylpropyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide;(E)-2-cyano-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile;4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile (PubChem CID 163482674) has the molecular formula C188H226N22O26S and a molecular weight of 3242.07 g/mol. Its IUPAC name is (E)-2-cyano-N-(3-hydroxy-2-methylpropyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide;(E)-2-cyano-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile;4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile.
| Compound Name | (E)-2-cyano-N-(3-hydroxy-2-methylpropyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide;(E)-2-cyano-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile;4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile |
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| PubChem CID | 163482674 |
| Molecular Formula | C188H226N22O26S |
| Molecular Weight | 3242.07 g/mol |
| Exact Mass | 3239.68 |
| IUPAC Name | (E)-2-cyano-N-(3-hydroxy-2-methylpropyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide;(E)-2-cyano-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile;4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile |
| SMILES | CC(CO)CNC(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1.COCCOCCOCCNC(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1.COCCOCCOCCNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1.COCCOCCOCCOCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)n1C.COCCOCCOCCOCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)o1.COCCOCCOCCOc1nccc(-c2ccc3cc(N4CCCCC4)ccc3c2)c1C#N.N#Cc1cnccc1-c1ccc2cc(N3CCCCC3)ccc2c1 |
| InChI | InChI=1S/C33H42N4O5.C32H39N3O6.C28H33N3O4.C26H33N3O4.C25H33N3O5S.C23H27N3O2.C21H19N3/c1-36-30(24-29(25-34)33(38)35-12-15-40-18-19-42-21-20-41-17-16-39-2)10-11-32(36)28-7-6-27-23-31(9-8-26(27)22-28)37-13-4-3-5-14-37;1-37-15-16-39-19-20-40-18-17-38-14-11-34-32(36)28(24-33)23-30-9-10-31(41-30)27-6-5-26-22-29(8-7-25(26)21-27)35-12-3-2-4-13-35;1-32-13-14-33-15-16-34-17-18-35-28-27(21-29)26(9-10-30-28)24-6-5-23-20-25(8-7-22(23)19-24)31-11-3-2-4-12-31;1-31-13-14-33-16-15-32-12-9-28-26(30)24(20-27)18-21-5-6-23-19-25(8-7-22(23)17-21)29-10-3-2-4-11-29;1-31-13-14-33-16-15-32-12-9-27-34(29,30)25(20-26)18-21-5-6-23-19-24(8-7-22(23)17-21)28-10-3-2-4-11-28;1-17(16-27)15-25-23(28)21(14-24)12-18-5-6-20-13-22(8-7-19(20)11-18)26-9-3-2-4-10-26;22-14-19-15-23-9-8-21(19)18-5-4-17-13-20(7-6-16(17)12-18)24-10-2-1-3-11-24/h6-11,22-24H,3-5,12-21H2,1-2H3,(H,35,38);5-10,21-23H,2-4,11-20H2,1H3,(H,34,36);5-10,19-20H,2-4,11-18H2,1H3;5-8,17-19H,2-4,9-16H2,1H3,(H,28,30);5-8,17-19,27H,2-4,9-16H2,1H3;5-8,11-13,17,27H,2-4,9-10,15-16H2,1H3,(H,25,28);4-9,12-13,15H,1-3,10-11H2/b29-24+;28-23+;;24-18+;25-18+;21-12+; |
| InChIKey | CFXVLWVTTKLQLO-LNLUMBMXSA-N |
| XLogP | 29.26 |
| TPSA | 582.00 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 77 |
| Heavy Atoms | 237 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3242.07 |
| LogP ≤ 5 | 29.26 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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