C97H105N17O8 — CID 159062944
N-[5-(4-amino-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(cyclopentylmethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(2-ethyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(4-methyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 159062944) has the molecular formula C97H105N17O8 and a molecular weight of 1637.02 g/mol. Its IUPAC name is N-[5-(4-amino-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(cyclopentylmethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(2-ethyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(4-methyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.
| Compound Name | N-[5-(4-amino-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(cyclopentylmethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(2-ethyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(4-methyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide |
|---|---|
| PubChem CID | 159062944 |
| Molecular Formula | C97H105N17O8 |
| Molecular Weight | 1637.02 g/mol |
| Exact Mass | 1635.83 |
| IUPAC Name | N-[5-(4-amino-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(cyclopentylmethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(2-ethyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(4-methyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide |
| SMILES | CCc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ccn1.Cc1ccnc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1.Nc1ccnc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1.O=C(Nc1cc(-c2cccc(CC3CCCC3)n2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1 |
| InChI | InChI=1S/C28H32N4O2.C24H26N4O2.C23H24N4O2.C22H23N5O2/c33-27(21-11-13-24(14-12-21)32-15-4-1-5-16-32)31-26-18-22(19-29-28(26)34)25-10-6-9-23(30-25)17-20-7-2-3-8-20;1-2-20-14-18(10-11-25-20)19-15-22(24(30)26-16-19)27-23(29)17-6-8-21(9-7-17)28-12-4-3-5-13-28;1-16-9-10-24-20(13-16)18-14-21(23(29)25-15-18)26-22(28)17-5-7-19(8-6-17)27-11-3-2-4-12-27;23-17-8-9-24-19(13-17)16-12-20(22(29)25-14-16)26-21(28)15-4-6-18(7-5-15)27-10-2-1-3-11-27/h6,9-14,18-20H,1-5,7-8,15-17H2,(H,29,34)(H,31,33);6-11,14-16H,2-5,12-13H2,1H3,(H,26,30)(H,27,29);5-10,13-15H,2-4,11-12H2,1H3,(H,25,29)(H,26,28);4-9,12-14H,1-3,10-11H2,(H2,23,24)(H,25,29)(H,26,28) |
| InChIKey | JYRWPHUKLHYYKA-UHFFFAOYSA-N |
| XLogP | 16.90 |
| TPSA | 338.38 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 122 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1637.02 |
| LogP ≤ 5 | 16.90 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 17 |