C111H116N26O5 — CID 159472802
5,6-dimethyl-2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide;N-[4-methyl-2-(1H-1,2,4-triazol-5-yl)phenyl]-2-piperidin-1-ylquinoline-3-carboxamide;2-piperidin-1-yl-N-[2-(4H-pyrazol-3-yl)phenyl]pyridine-3-carboxamide;2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide (PubChem CID 159472802) has the molecular formula C111H116N26O5 and a molecular weight of 1894.33 g/mol. Its IUPAC name is 5,6-dimethyl-2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide;N-[4-methyl-2-(1H-1,2,4-triazol-5-yl)phenyl]-2-piperidin-1-ylquinoline-3-carboxamide;2-piperidin-1-yl-N-[2-(4H-pyrazol-3-yl)phenyl]pyridine-3-carboxamide;2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide.
| Compound Name | 5,6-dimethyl-2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide;N-[4-methyl-2-(1H-1,2,4-triazol-5-yl)phenyl]-2-piperidin-1-ylquinoline-3-carboxamide;2-piperidin-1-yl-N-[2-(4H-pyrazol-3-yl)phenyl]pyridine-3-carboxamide;2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide |
|---|---|
| PubChem CID | 159472802 |
| Molecular Formula | C111H116N26O5 |
| Molecular Weight | 1894.33 g/mol |
| Exact Mass | 1892.96 |
| IUPAC Name | 5,6-dimethyl-2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide;N-[4-methyl-2-(1H-1,2,4-triazol-5-yl)phenyl]-2-piperidin-1-ylquinoline-3-carboxamide;2-piperidin-1-yl-N-[2-(4H-pyrazol-3-yl)phenyl]pyridine-3-carboxamide;2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide |
| SMILES | Cc1cc(C(=O)Nc2ccccc2-c2ccn[nH]2)c(N2CCCCC2)nc1C.Cc1ccc(NC(=O)c2cc3ccccc3nc2N2CCCCC2)c(-c2ncn[nH]2)c1.Cc1ccnc(N2CCCCC2)c1C(=O)Nc1ccccc1-c1ccn[nH]1.O=C(Nc1ccccc1-c1ccn[nH]1)c1cc2ccccc2nc1N1CCCCC1.O=C(Nc1ccccc1C1=NN=CC1)c1cccnc1N1CCCCC1 |
| InChI | InChI=1S/C24H24N6O.C24H23N5O.C22H25N5O.C21H23N5O.C20H21N5O/c1-16-9-10-21(18(13-16)22-25-15-26-29-22)28-24(31)19-14-17-7-3-4-8-20(17)27-23(19)30-11-5-2-6-12-30;30-24(27-21-11-5-3-9-18(21)22-12-13-25-28-22)19-16-17-8-2-4-10-20(17)26-23(19)29-14-6-1-7-15-29;1-15-14-18(21(24-16(15)2)27-12-6-3-7-13-27)22(28)25-19-9-5-4-8-17(19)20-10-11-23-26-20;1-15-9-11-22-20(26-13-5-2-6-14-26)19(15)21(27)24-17-8-4-3-7-16(17)18-10-12-23-25-18;26-20(16-8-6-11-21-19(16)25-13-4-1-5-14-25)23-17-9-3-2-7-15(17)18-10-12-22-24-18/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,28,31)(H,25,26,29);2-5,8-13,16H,1,6-7,14-15H2,(H,25,28)(H,27,30);4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,26)(H,25,28);3-4,7-12H,2,5-6,13-14H2,1H3,(H,23,25)(H,24,27);2-3,6-9,11-12H,1,4-5,10,13-14H2,(H,23,26) |
| InChIKey | LVZYMBHAZMXXAU-UHFFFAOYSA-N |
| XLogP | 21.30 |
| TPSA | 378.48 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1894.33 |
| LogP ≤ 5 | 21.30 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 22 |