C112H111Br6ClN31O14+ — CID 157130576
5-bromopyridin-2-amine;6-[(6-bromopyridine-3-carbonyl)amino]-N-(5-bromo-2-pyridinyl)pyridine-3-carboxamide;6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid;6-bromopyridine-3-carboxylic acid;2-chloro-1-methylpyridin-1-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylate;6-(propylamino)-N-[5-[[5-(propylamino)-2-pyridinyl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide;5-N-propyl-2-N-[[6-[[6-(propylamino)-3-pyridinyl]methylamino]-3-pyridinyl]methyl]pyridine-2,5-diamine (PubChem CID 157130576) has the molecular formula C112H111Br6ClN31O14+ and a molecular weight of 2630.20 g/mol. Its IUPAC name is 5-bromopyridin-2-amine;6-[(6-bromopyridine-3-carbonyl)amino]-N-(5-bromo-2-pyridinyl)pyridine-3-carboxamide;6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid;6-bromopyridine-3-carboxylic acid;2-chloro-1-methylpyridin-1-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylate;6-(propylamino)-N-[5-[[5-(propylamino)-2-pyridinyl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide;5-N-propyl-2-N-[[6-[[6-(propylamino)-3-pyridinyl]methylamino]-3-pyridinyl]methyl]pyridine-2,5-diamine.
| Compound Name | 5-bromopyridin-2-amine;6-[(6-bromopyridine-3-carbonyl)amino]-N-(5-bromo-2-pyridinyl)pyridine-3-carboxamide;6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid;6-bromopyridine-3-carboxylic acid;2-chloro-1-methylpyridin-1-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylate;6-(propylamino)-N-[5-[[5-(propylamino)-2-pyridinyl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide;5-N-propyl-2-N-[[6-[[6-(propylamino)-3-pyridinyl]methylamino]-3-pyridinyl]methyl]pyridine-2,5-diamine |
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| PubChem CID | 157130576 |
| Molecular Formula | C112H111Br6ClN31O14+ |
| Molecular Weight | 2630.20 g/mol |
| Exact Mass | 2622.37 |
| IUPAC Name | 5-bromopyridin-2-amine;6-[(6-bromopyridine-3-carbonyl)amino]-N-(5-bromo-2-pyridinyl)pyridine-3-carboxamide;6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid;6-bromopyridine-3-carboxylic acid;2-chloro-1-methylpyridin-1-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylate;6-(propylamino)-N-[5-[[5-(propylamino)-2-pyridinyl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide;5-N-propyl-2-N-[[6-[[6-(propylamino)-3-pyridinyl]methylamino]-3-pyridinyl]methyl]pyridine-2,5-diamine |
| SMILES | CCCNc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NCCC)nc3)nc2)nc1.CCCNc1ccc(NCc2ccc(NCc3ccc(NCCC)nc3)nc2)nc1.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(NC(=O)c2ccc(Br)nc2)nc1.C[n+]1ccccc1Cl.Nc1ccc(Br)cn1.O=C(Nc1ccc(C(=O)Nc2ccc(Br)cn2)cn1)c1ccc(Br)nc1.O=C(O)c1ccc(Br)nc1.O=C(O)c1ccc(NC(=O)c2ccc(Br)nc2)nc1 |
| InChI | InChI=1S/C23H27N7O2.C23H31N7.C17H11Br2N5O2.C13H10BrN3O3.C12H8BrN3O3.C7H8N2O2.C6H4BrNO2.C6H7ClN.C5H5BrN2/c1-3-11-24-18-7-10-21(28-15-18)30-23(32)17-6-9-20(27-14-17)29-22(31)16-5-8-19(26-13-16)25-12-4-2;1-3-11-24-20-7-10-23(30-17-20)29-16-19-6-9-22(28-15-19)27-14-18-5-8-21(26-13-18)25-12-4-2;18-12-3-6-15(22-9-12)24-17(26)11-2-5-14(21-8-11)23-16(25)10-1-4-13(19)20-7-10;1-20-13(19)9-3-5-11(16-7-9)17-12(18)8-2-4-10(14)15-6-8;13-9-3-1-7(5-14-9)11(17)16-10-4-2-8(6-15-10)12(18)19;1-11-7(10)5-2-3-6(8)9-4-5;7-5-2-1-4(3-8-5)6(9)10;1-8-5-3-2-4-6(8)7;6-4-1-2-5(7)8-3-4/h5-10,13-15,24H,3-4,11-12H2,1-2H3,(H,25,26)(H,27,29,31)(H,28,30,32);5-10,13,15,17,24H,3-4,11-12,14,16H2,1-2H3,(H,25,26)(H,27,28)(H,29,30);1-9H,(H,21,23,25)(H,22,24,26);2-7H,1H3,(H,16,17,18);1-6H,(H,18,19)(H,15,16,17);2-4H,1H3,(H2,8,9);1-3H,(H,9,10);2-5H,1H3;1-3H,(H2,7,8)/q;;;;;;;+1; |
| InChIKey | AJADQCQFYRYYJT-UHFFFAOYSA-N |
| XLogP | 21.71 |
| TPSA | 636.14 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2630.20 |
| LogP ≤ 5 | 21.71 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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