C86H71N19O10 — CID 123654644
3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide (PubChem CID 123654644) has the molecular formula C86H71N19O10 and a molecular weight of 1530.64 g/mol. Its IUPAC name is 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide.
| Compound Name | 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide |
|---|---|
| PubChem CID | 123654644 |
| Molecular Formula | C86H71N19O10 |
| Molecular Weight | 1530.64 g/mol |
| Exact Mass | 1529.56 |
| IUPAC Name | 3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide |
| SMILES | Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)n2)c1 |
| InChI | InChI=1S/2C18H15N3O2.2C17H14N4O2.C16H13N5O2/c1-13-5-2-6-14(11-13)18(22)21-16-8-3-9-17(20-16)23-15-7-4-10-19-12-15;1-13-4-2-5-14(8-13)18(22)21-15-9-17(12-20-10-15)23-16-6-3-7-19-11-16;1-12-4-2-5-13(8-12)17(22)21-15-10-19-11-16(20-15)23-14-6-3-7-18-9-14;1-12-3-2-4-13(5-12)17(22)21-14-6-15(8-18-7-14)23-16-9-19-11-20-10-16;1-11-3-2-4-12(5-11)16(22)21-14-8-17-9-15(20-14)23-13-6-18-10-19-7-13/h2-12H,1H3,(H,20,21,22);2-12H,1H3,(H,21,22);2-11H,1H3,(H,20,21,22);2-11H,1H3,(H,21,22);2-10H,1H3,(H,20,21,22) |
| InChIKey | LPUFTGONMRIPPB-UHFFFAOYSA-N |
| XLogP | 16.73 |
| TPSA | 372.11 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 115 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1530.64 |
| LogP ≤ 5 | 16.73 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 24 |