C146H163N29O10S2 — CID 158781582
N,N-dimethyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)amino]-4-pyridinyl]amino]benzamide;2-N-(2-methoxy-5-morpholin-4-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;N-methyl-2-[[5-methyl-2-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)amino]-4-pyridinyl]amino]benzenesulfonamide;N-methyl-2-[[5-methyl-2-[4-(2-methylidenepyrrolidin-1-yl)anilino]-4-pyridinyl]amino]benzenesulfonamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)amino]-4-pyridinyl]amino]benzamide (PubChem CID 158781582) has the molecular formula C146H163N29O10S2 and a molecular weight of 2548.24 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)amino]-4-pyridinyl]amino]benzamide;2-N-(2-methoxy-5-morpholin-4-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;N-methyl-2-[[5-methyl-2-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)amino]-4-pyridinyl]amino]benzenesulfonamide;N-methyl-2-[[5-methyl-2-[4-(2-methylidenepyrrolidin-1-yl)anilino]-4-pyridinyl]amino]benzenesulfonamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)amino]-4-pyridinyl]amino]benzamide.
| Compound Name | N,N-dimethyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)amino]-4-pyridinyl]amino]benzamide;2-N-(2-methoxy-5-morpholin-4-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;N-methyl-2-[[5-methyl-2-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)amino]-4-pyridinyl]amino]benzenesulfonamide;N-methyl-2-[[5-methyl-2-[4-(2-methylidenepyrrolidin-1-yl)anilino]-4-pyridinyl]amino]benzenesulfonamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)amino]-4-pyridinyl]amino]benzamide |
|---|---|
| PubChem CID | 158781582 |
| Molecular Formula | C146H163N29O10S2 |
| Molecular Weight | 2548.24 g/mol |
| Exact Mass | 2546.26 |
| IUPAC Name | N,N-dimethyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)amino]-4-pyridinyl]amino]benzamide;2-N-(2-methoxy-5-morpholin-4-ylphenyl)-5-methyl-4-N-pyridin-2-ylpyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;N-methyl-2-[[5-methyl-2-[(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)amino]-4-pyridinyl]amino]benzenesulfonamide;N-methyl-2-[[5-methyl-2-[4-(2-methylidenepyrrolidin-1-yl)anilino]-4-pyridinyl]amino]benzenesulfonamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)amino]-4-pyridinyl]amino]benzamide |
| SMILES | C=C1CCCN1c1ccc(Nc2cc(Nc3ccccc3S(=O)(=O)NC)c(C)cn2)cc1.C=C1CCc2cc(Nc3cc(Nc4ccccc4C(=O)N(C)C)c(C)cn3)ccc2N1C.C=C1CCc2cc(Nc3cc(Nc4ccccc4C(=O)NC)c(C)cn3)ccc2N1C.C=C1CCc2cc(Nc3cc(Nc4ccccc4S(=O)(=O)NC)c(C)cn3)ccc2N1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccc2C(C)=O)c(C)cn1.COc1ccc(N2CCOCC2)cc1Nc1cc(Nc2ccccn2)c(C)cn1 |
| InChI | InChI=1S/C26H29N5O.C26H30N4O2.C25H27N5O.C24H27N5O2S.C23H25N5O2S.C22H25N5O2/c1-17-16-27-25(28-20-12-13-24-19(14-20)11-10-18(2)31(24)5)15-23(17)29-22-9-7-6-8-21(22)26(32)30(3)4;1-18-17-27-26(16-24(18)28-22-10-6-5-9-21(22)19(2)31)29-23-12-11-20(15-25(23)32-3)30-13-7-4-8-14-30;1-16-15-27-24(14-22(16)29-21-8-6-5-7-20(21)25(31)26-3)28-19-11-12-23-18(13-19)10-9-17(2)30(23)4;1-17-16-26-24(27-19-10-12-20(13-11-19)29-14-6-7-18(29)2)15-22(17)28-21-8-4-5-9-23(21)32(30,31)25-3;1-15-14-25-23(27-18-10-11-19-17(12-18)9-8-16(2)26-19)13-21(15)28-20-6-4-5-7-22(20)31(29,30)24-3;1-16-15-24-22(14-18(16)25-21-5-3-4-8-23-21)26-19-13-17(6-7-20(19)28-2)27-9-11-29-12-10-27/h6-9,12-16H,2,10-11H2,1,3-5H3,(H2,27,28,29);5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3,(H2,27,28,29);5-8,11-15H,2,9-10H2,1,3-4H3,(H,26,31)(H2,27,28,29);4-5,8-13,15-16,25H,2,6-7,14H2,1,3H3,(H2,26,27,28);4-7,10-14,24,26H,2,8-9H2,1,3H3,(H2,25,27,28);3-8,13-15H,9-12H2,1-2H3,(H2,23,24,25,26) |
| InChIKey | IRDNROJUVQKQSJ-UHFFFAOYSA-N |
| XLogP | 30.36 |
| TPSA | 449.33 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 187 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2548.24 |
| LogP ≤ 5 | 30.36 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'} |
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