C147H142N30O17 — CID 157148802
N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-(methylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide (PubChem CID 157148802) has the molecular formula C147H142N30O17 and a molecular weight of 2600.95 g/mol. Its IUPAC name is N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-(methylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide.
| Compound Name | N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-(methylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide |
|---|---|
| PubChem CID | 157148802 |
| Molecular Formula | C147H142N30O17 |
| Molecular Weight | 2600.95 g/mol |
| Exact Mass | 2599.12 |
| IUPAC Name | N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[6-(methylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide |
| SMILES | CCCCOc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1.CNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1.COc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1.Cc1cccc(C(=O)Nc2cc(=O)[nH]c(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(C)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2ccnc(NC(=O)c3cccc(C)c3)n2)c1 |
| InChI | InChI=1S/C24H26N4O3.C21H21N5O2.C21H20N4O3.C21H20N4O2.C20H19N5O2.C20H18N4O3.C20H18N4O2/c1-4-5-12-31-21-15-20(25-22(29)18-10-6-8-16(2)13-18)26-24(27-21)28-23(30)19-11-7-9-17(3)14-19;1-13-6-4-8-15(10-13)19(27)23-18-12-17(22-3)24-21(25-18)26-20(28)16-9-5-7-14(2)11-16;1-13-6-4-8-15(10-13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-9-5-7-14(2)11-16;1-13-6-4-8-16(10-13)19(26)23-18-12-15(3)22-21(24-18)25-20(27)17-9-5-7-14(2)11-17;1-12-5-3-7-14(9-12)18(26)23-17-11-16(21)22-20(24-17)25-19(27)15-8-4-6-13(2)10-15;1-12-5-3-7-14(9-12)18(26)21-16-11-17(25)23-20(22-16)24-19(27)15-8-4-6-13(2)10-15;1-13-5-3-7-15(11-13)18(25)22-17-9-10-21-20(23-17)24-19(26)16-8-4-6-14(2)12-16/h6-11,13-15H,4-5,12H2,1-3H3,(H2,25,26,27,28,29,30);4-12H,1-3H3,(H3,22,23,24,25,26,27,28);4-12H,1-3H3,(H2,22,23,24,25,26,27);4-12H,1-3H3,(H2,22,23,24,25,26,27);3-11H,1-2H3,(H4,21,22,23,24,25,26,27);3-11H,1-2H3,(H3,21,22,23,24,25,26,27);3-12H,1-2H3,(H2,21,22,23,24,25,26) |
| InChIKey | ALABIGJMKYTRSE-UHFFFAOYSA-N |
| XLogP | 25.60 |
| TPSA | 664.34 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2600.95 |
| LogP ≤ 5 | 25.60 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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