C190H228N28O3 — CID 158923767
3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-methyl-7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene;3-methyl-6-pyridin-3-yl-3-azabicyclo[3.2.1]oct-6-ene;6-methyl-3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;3-(5-phenoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-(5-phenyl-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-(5-propan-2-yloxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-2-ene;7-pyridin-3-yl-3-azabicyclo[3.3.1]nonane;7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene;6-pyridin-3-yl-3-azabicyclo[3.2.1]octane;3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-2-ene;3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;4-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;6-pyridin-3-yl-3-azabicyclo[3.2.1]oct-6-ene (PubChem CID 158923767) has the molecular formula C190H228N28O3 and a molecular weight of 2952.11 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-methyl-7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene;3-methyl-6-pyridin-3-yl-3-azabicyclo[3.2.1]oct-6-ene;6-methyl-3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;3-(5-phenoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-(5-phenyl-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-(5-propan-2-yloxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-2-ene;7-pyridin-3-yl-3-azabicyclo[3.3.1]nonane;7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene;6-pyridin-3-yl-3-azabicyclo[3.2.1]octane;3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-2-ene;3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;4-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;6-pyridin-3-yl-3-azabicyclo[3.2.1]oct-6-ene.
| Compound Name | 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-methyl-7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene;3-methyl-6-pyridin-3-yl-3-azabicyclo[3.2.1]oct-6-ene;6-methyl-3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;3-(5-phenoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-(5-phenyl-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-(5-propan-2-yloxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-2-ene;7-pyridin-3-yl-3-azabicyclo[3.3.1]nonane;7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene;6-pyridin-3-yl-3-azabicyclo[3.2.1]octane;3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-2-ene;3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;4-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;6-pyridin-3-yl-3-azabicyclo[3.2.1]oct-6-ene |
|---|---|
| PubChem CID | 158923767 |
| Molecular Formula | C190H228N28O3 |
| Molecular Weight | 2952.11 g/mol |
| Exact Mass | 2949.85 |
| IUPAC Name | 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-methyl-7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene;3-methyl-6-pyridin-3-yl-3-azabicyclo[3.2.1]oct-6-ene;6-methyl-3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;3-(5-phenoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-(5-phenyl-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;3-(5-propan-2-yloxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-2-ene;7-pyridin-3-yl-3-azabicyclo[3.3.1]nonane;7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene;6-pyridin-3-yl-3-azabicyclo[3.2.1]octane;3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-2-ene;3-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;4-pyridin-3-yl-6-azabicyclo[3.2.1]oct-3-ene;6-pyridin-3-yl-3-azabicyclo[3.2.1]oct-6-ene |
| SMILES | C1=C(c2cccnc2)C2CC(C1)CN2.C1=C(c2cccnc2)C2CNCC1C2.C1=C(c2cccnc2)CC2CC1CN2.C1=C(c2cccnc2)CC2CNC1C2.C1=C(c2cccnc2)CC2CNCC1C2.C1=C(c2cncc(-c3ccccc3)c2)CC2CNC1C2.C1=C(c2cncc(Oc3ccccc3)c2)CC2CNC1C2.CC(C)Oc1cncc(C2=CC3CNC(C2)C3)c1.CN1CC2C=C(c3cccnc3)C(C2)C1.CN1CC2C=C(c3cccnc3)CC(C2)C1.CN1CC2CC(c3cccnc3)=CC1C2.COc1ccc(C2=CC3CC(CN3)C2)cn1.c1cncc(C2CC3CNCC(C3)C2)c1.c1cncc(C2CC3CNCC2C3)c1 |
| InChI | InChI=1S/C18H18N2O.C18H18N2.C15H20N2O.C14H18N2.C13H16N2O.2C13H16N2.C13H18N2.C13H16N2.3C12H14N2.C12H16N2.C12H14N2/c1-2-4-17(5-3-1)21-18-9-15(11-19-12-18)14-6-13-7-16(8-14)20-10-13;1-2-4-14(5-3-1)16-8-17(12-19-11-16)15-6-13-7-18(9-15)20-10-13;1-10(2)18-15-6-13(8-16-9-15)12-3-11-4-14(5-12)17-7-11;1-16-9-11-5-12(10-16)7-14(6-11)13-3-2-4-15-8-13;1-16-13-3-2-10(8-15-13)11-4-9-5-12(6-11)14-7-9;1-15-9-10-5-12(7-13(15)6-10)11-3-2-4-14-8-11;1-15-8-10-5-12(9-15)13(6-10)11-3-2-4-14-7-11;2*1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10;1-2-10(8-13-5-1)11-4-3-9-6-12(11)14-7-9;2*1-2-10(8-13-3-1)11-4-9-5-12(6-11)14-7-9;2*1-2-10(7-13-3-1)12-5-9-4-11(12)8-14-6-9/h1-5,8-9,11-13,16,20H,6-7,10H2;1-5,8-9,11-13,18,20H,6-7,10H2;3,6,8-11,14,17H,4-5,7H2,1-2H3;2-4,6,8,11-12H,5,7,9-10H2,1H3;2-3,6,8-9,12,14H,4-5,7H2,1H3;2-4,7-8,10,13H,5-6,9H2,1H3;2-4,6-7,10,12H,5,8-9H2,1H3;1-3,9-11,13,15H,4-8H2;1-3,5,9-11,15H,4,6-8H2;1-2,4-5,8-9,12,14H,3,6-7H2;1-3,6,8-9,12,14H,4-5,7H2;1-4,8-9,12,14H,5-7H2;1-3,7,9,11-12,14H,4-6,8H2;1-3,5,7,9,11,14H,4,6,8H2 |
| InChIKey | JIECJTTWNSNVEI-UHFFFAOYSA-N |
| XLogP | 31.63 |
| TPSA | 350.20 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 221 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2952.11 |
| LogP ≤ 5 | 31.63 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 31 |