C133H148N18O14 — CID 158468899
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-yl-2H-pyrrole-3-carboxamide;N-[(1-ethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-propan-2-ylbenzamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 158468899) has the molecular formula C133H148N18O14 and a molecular weight of 2222.76 g/mol. Its IUPAC name is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-yl-2H-pyrrole-3-carboxamide;N-[(1-ethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-propan-2-ylbenzamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
| Compound Name | N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-yl-2H-pyrrole-3-carboxamide;N-[(1-ethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-propan-2-ylbenzamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide |
|---|---|
| PubChem CID | 158468899 |
| Molecular Formula | C133H148N18O14 |
| Molecular Weight | 2222.76 g/mol |
| Exact Mass | 2221.14 |
| IUPAC Name | N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-yl-2H-pyrrole-3-carboxamide;N-[(1-ethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-propan-2-ylbenzamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide |
| SMILES | CC(C)N1CCC(CNC(=O)c2cccc([C@@H](C)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CC(C)NC(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.CCN1CCC(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2cccc(-c3ccncc3)c2)c1.O=C(N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1)C1=CC(c2ccncc2)=NC1 |
| InChI | InChI=1S/C30H36N4O2.C29H34N4O3.C26H27N3O3.C24H26N4O3.C24H25N3O3/c1-21(2)34-17-13-23(14-18-34)20-32-29(35)28-6-4-5-27(19-28)22(3)33-30(36)26-9-7-24(8-10-26)25-11-15-31-16-12-25;1-2-33-16-12-21(13-17-33)19-31-28(35)26-5-3-4-25(18-26)27(20-34)32-29(36)24-8-6-22(7-9-24)23-10-14-30-15-11-23;30-17-24(20-6-4-8-22(16-20)25(31)28-23-9-1-2-10-23)29-26(32)21-7-3-5-19(15-21)18-11-13-27-14-12-18;29-15-22(17-4-3-5-18(12-17)23(30)27-20-6-1-2-7-20)28-24(31)19-13-21(26-14-19)16-8-10-25-11-9-16;1-16(2)26-24(30)21-5-3-4-20(14-21)22(15-28)27-23(29)19-8-6-17(7-9-19)18-10-12-25-13-11-18/h4-12,15-16,19,21-23H,13-14,17-18,20H2,1-3H3,(H,32,35)(H,33,36);3-11,14-15,18,21,27,34H,2,12-13,16-17,19-20H2,1H3,(H,31,35)(H,32,36);3-8,11-16,23-24,30H,1-2,9-10,17H2,(H,28,31)(H,29,32);3-5,8-13,20,22,29H,1-2,6-7,14-15H2,(H,27,30)(H,28,31);3-14,16,22,28H,15H2,1-2H3,(H,26,30)(H,27,29)/t22-;27-;24-;2*22-/m11111/s1 |
| InChIKey | HGCHBPVJSJXQQT-VTRDIWBPSA-N |
| XLogP | 18.33 |
| TPSA | 455.21 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2222.76 |
| LogP ≤ 5 | 18.33 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 22 |