C150H218N36O21 — CID 164999757
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-ethyl-5-[[2-[(2S,5R)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-ethyl-5-[[2-[(2R,5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-ethyl-5-[[2-[5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;2-[[5-ethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;methane;N-methyl-5-(5-methylpiperidin-2-yl)pyridin-2-amine (PubChem CID 164999757) has the molecular formula C150H218N36O21 and a molecular weight of 2861.62 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-ethyl-5-[[2-[(2S,5R)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-ethyl-5-[[2-[(2R,5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-ethyl-5-[[2-[5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;2-[[5-ethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;methane;N-methyl-5-(5-methylpiperidin-2-yl)pyridin-2-amine.
| Compound Name | N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-ethyl-5-[[2-[(2S,5R)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-ethyl-5-[[2-[(2R,5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-ethyl-5-[[2-[5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;2-[[5-ethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;methane;N-methyl-5-(5-methylpiperidin-2-yl)pyridin-2-amine |
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| PubChem CID | 164999757 |
| Molecular Formula | C150H218N36O21 |
| Molecular Weight | 2861.62 g/mol |
| Exact Mass | 2859.71 |
| IUPAC Name | N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-ethyl-5-[[2-[(2S,5R)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-ethyl-5-[[2-[(2R,5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-ethyl-5-[[2-[5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;2-[[5-ethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;methane;N-methyl-5-(5-methylpiperidin-2-yl)pyridin-2-amine |
| SMILES | C.C.C.C.CCc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc(NC)nc2)cnc1NC(=O)OC(C)(C)C.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(NC)nc2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(NC)nc2)cnc1NC(=O)OC(C)(C)C.CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NC)nc2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NC)nc2)cnc1NC(=O)OC(C)(C)C.CCc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C.CNc1ccc(C2CCC(C)CN2)cn1 |
| InChI | InChI=1S/3C26H36N6O4.2C21H28N6O2.C14H19N3O5.C12H19N3.4CH4/c3*1-7-17-12-19(14-29-22(17)31-25(35)36-26(3,4)5)30-23(33)24(34)32-15-16(2)8-10-20(32)18-9-11-21(27-6)28-13-18;2*1-4-14-9-16(11-25-19(14)22)26-20(28)21(29)27-12-13(2)5-7-17(27)15-6-8-18(23-3)24-10-15;1-5-8-6-9(16-11(18)12(19)20)7-15-10(8)17-13(21)22-14(2,3)4;1-9-3-5-11(14-7-9)10-4-6-12(13-2)15-8-10;;;;/h3*9,11-14,16,20H,7-8,10,15H2,1-6H3,(H,27,28)(H,30,33)(H,29,31,35);2*6,8-11,13,17H,4-5,7,12H2,1-3H3,(H2,22,25)(H,23,24)(H,26,28);6-7H,5H2,1-4H3,(H,16,18)(H,19,20)(H,15,17,21);4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,13,15);4*1H4/t2*16-,20+;;2*13-,17+;;;;;;/m10.10....../s1 |
| InChIKey | IBRWWJUPXDRFME-ZPNOOKKFSA-N |
| XLogP | 25.04 |
| TPSA | 757.70 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 207 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2861.62 |
| LogP ≤ 5 | 25.04 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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