C151H130Cl6N28O13 — CID 157282611
2-[[4-(2-carbamimidoylphenyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-[2-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]benzamide (PubChem CID 157282611) has the molecular formula C151H130Cl6N28O13 and a molecular weight of 2757.60 g/mol. Its IUPAC name is 2-[[4-(2-carbamimidoylphenyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-[2-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]benzamide.
| Compound Name | 2-[[4-(2-carbamimidoylphenyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-[2-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]benzamide |
|---|---|
| PubChem CID | 157282611 |
| Molecular Formula | C151H130Cl6N28O13 |
| Molecular Weight | 2757.60 g/mol |
| Exact Mass | 2752.85 |
| IUPAC Name | 2-[[4-(2-carbamimidoylphenyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-[2-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]benzamide |
| SMILES | CN(C)Cc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C(=O)N2CCCC2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(\N)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 |
| InChI | InChI=1S/C28H24ClN5O2.C28H25ClN4O2.C26H20ClN5O2.C24H21ClN4O3.C23H20ClN5O2.C22H20ClN5O2/c1-34(2)26(30)22-8-4-3-7-21(22)18-11-13-19(14-12-18)27(35)32-24-10-6-5-9-23(24)28(36)33-25-16-15-20(29)17-31-25;1-33(2)18-21-7-3-4-8-23(21)19-11-13-20(14-12-19)27(34)31-25-10-6-5-9-24(25)28(35)32-26-16-15-22(29)17-30-26;27-18-13-14-23(30-15-18)32-26(34)21-7-3-4-8-22(21)31-25(33)17-11-9-16(10-12-17)19-5-1-2-6-20(19)24(28)29;25-18-11-12-21(26-15-18)28-23(31)19-5-1-2-6-20(19)27-22(30)16-7-9-17(10-8-16)24(32)29-13-3-4-14-29;1-29-13-12-25-21(29)15-6-8-16(9-7-15)22(30)27-19-5-3-2-4-18(19)23(31)28-20-11-10-17(24)14-26-20;1-28(2)20(24)14-7-9-15(10-8-14)21(29)26-18-6-4-3-5-17(18)22(30)27-19-12-11-16(23)13-25-19/h3-17,30H,1-2H3,(H,32,35)(H,31,33,36);3-17H,18H2,1-2H3,(H,31,34)(H,30,32,35);1-15H,(H3,28,29)(H,31,33)(H,30,32,34);1-2,5-12,15H,3-4,13-14H2,(H,27,30)(H,26,28,31);2-11,14H,12-13H2,1H3,(H,27,30)(H,26,28,31);3-13,24H,1-2H3,(H,26,29)(H,25,27,30)/b30-26-;;;;;24-20- |
| InChIKey | AZVNDJXCWJLVRN-SEQJUIDRSA-N |
| XLogP | 29.49 |
| TPSA | 569.74 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 198 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2757.60 |
| LogP ≤ 5 | 29.49 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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