C136H135N31O11 — CID 158574262
N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(1R)-1-pyrazol-1-ylethyl]benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide (PubChem CID 158574262) has the molecular formula C136H135N31O11 and a molecular weight of 2379.78 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(1R)-1-pyrazol-1-ylethyl]benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide.
| Compound Name | N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(1R)-1-pyrazol-1-ylethyl]benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide |
|---|---|
| PubChem CID | 158574262 |
| Molecular Formula | C136H135N31O11 |
| Molecular Weight | 2379.78 g/mol |
| Exact Mass | 2378.10 |
| IUPAC Name | N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(1R)-1-pyrazol-1-ylethyl]benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide |
| SMILES | COCNc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COCNc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.C[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)n1cccn1.C[C@H](c1ccc(C(=O)Nc2ccccc2N)cc1)n1cccn1.Cc1cnn(Cc2ccc(C(=O)Nc3cc(-c4ccco4)ccc3N)cc2)c1.Nc1ccccc1NC(=O)c1ccc(Cn2ccc(-c3ccccn3)n2)cc1 |
| InChI | InChI=1S/C22H19N5O.C22H20N4O2.2C19H21N5O2.C18H18N4O2.2C18H18N4O/c23-18-5-1-2-6-19(18)25-22(28)17-10-8-16(9-11-17)15-27-14-12-21(26-27)20-7-3-4-13-24-20;1-15-12-24-26(13-15)14-16-4-6-17(7-5-16)22(27)25-20-11-18(8-9-19(20)23)21-3-2-10-28-21;1-26-13-21-18-10-11-24(23-18)12-14-6-8-15(9-7-14)19(25)22-17-5-3-2-4-16(17)20;1-26-13-21-18-10-11-22-24(18)12-14-6-8-15(9-7-14)19(25)23-17-5-3-2-4-16(17)20;1-24-17-10-11-20-22(17)12-13-6-8-14(9-7-13)18(23)21-16-5-3-2-4-15(16)19;2*1-13(22-12-4-11-20-22)14-7-9-15(10-8-14)18(23)21-17-6-3-2-5-16(17)19/h1-14H,15,23H2,(H,25,28);2-13H,14,23H2,1H3,(H,25,27);2-11H,12-13,20H2,1H3,(H,21,23)(H,22,25);2-11,21H,12-13,20H2,1H3,(H,23,25);2-11H,12,19H2,1H3,(H,21,23);2*2-13H,19H2,1H3,(H,21,23)/t;;;;;2*13-/m.....10/s1 |
| InChIKey | HSLSEGJZIXUYMJ-FOOLEOMMSA-N |
| XLogP | 23.15 |
| TPSA | 588.36 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 178 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2379.78 |
| LogP ≤ 5 | 23.15 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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