C206H229Cl3F9N31O16 — CID 160695778
N-[3,3-bis(4-fluorophenyl)propyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;4-pyridin-4-yloxy-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-pyridin-4-yloxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide (PubChem CID 160695778) has the molecular formula C206H229Cl3F9N31O16 and a molecular weight of 3672.64 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;4-pyridin-4-yloxy-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-pyridin-4-yloxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide.
| Compound Name | N-[3,3-bis(4-fluorophenyl)propyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;4-pyridin-4-yloxy-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-pyridin-4-yloxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 160695778 |
| Molecular Formula | C206H229Cl3F9N31O16 |
| Molecular Weight | 3672.64 g/mol |
| Exact Mass | 3668.70 |
| IUPAC Name | N-[3,3-bis(4-fluorophenyl)propyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;4-pyridin-4-yloxy-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-pyridin-4-yloxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide |
| SMILES | COc1ccc(CCNC(=O)N2CCC(Oc3ccncc3)CC2)cc1.C[C@H](CNC(=O)N1CCC(Cc2cccnc2)C1)c1ccccc1.C[C@H](CNC(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(Cc2cccnc2)C1.O=C(NCCc1ccc(-c2ccccc2)cc1)N1CCC(Cc2cccnc2)C1.O=C(NCc1ccc(C(F)(F)F)nc1)N1CCC(Oc2ccncc2)CC1.O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Cc2cccnc2)C1.O=C(NCc1ccc(F)cc1Cl)N1CCC(Cc2cccnc2)C1.O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC(Oc2ccncc2)CC1.O=C(NCc1cccc2ccccc12)N1CCC(Cc2cccnc2)C1 |
| InChI | InChI=1S/C26H27F2N3O.C25H27N3O.C22H23N3O.C20H25N3O3.C20H25N3O2.C20H25N3O.C19H20F3N3O3.C18H19Cl2N3O.C18H19ClFN3O.C18H19F3N4O2/c27-23-7-3-21(4-8-23)25(22-5-9-24(28)10-6-22)11-14-30-26(32)31-15-12-20(18-31)16-19-2-1-13-29-17-19;29-25(28-16-13-22(19-28)17-21-5-4-14-26-18-21)27-15-12-20-8-10-24(11-9-20)23-6-2-1-3-7-23;26-22(24-15-20-8-3-7-19-6-1-2-9-21(19)20)25-12-10-18(16-25)13-17-5-4-11-23-14-17;1-25-17-4-2-16(3-5-17)6-13-22-20(24)23-14-9-19(10-15-23)26-18-7-11-21-12-8-18;1-16(17-5-3-2-4-6-17)15-22-20(24)23-13-9-19(10-14-23)25-18-7-11-21-12-8-18;1-16(19-7-3-2-4-8-19)13-22-20(24)23-11-9-18(15-23)12-17-6-5-10-21-14-17;20-19(21,22)28-17-3-1-2-14(12-17)13-24-18(26)25-10-6-16(7-11-25)27-15-4-8-23-9-5-15;19-16-4-3-15(17(20)9-16)11-22-18(24)23-7-5-14(12-23)8-13-2-1-6-21-10-13;19-17-9-16(20)4-3-15(17)11-22-18(24)23-7-5-14(12-23)8-13-2-1-6-21-10-13;19-18(20,21)16-2-1-13(11-23-16)12-24-17(26)25-9-5-15(6-10-25)27-14-3-7-22-8-4-14/h1-10,13,17,20,25H,11-12,14-16,18H2,(H,30,32);1-11,14,18,22H,12-13,15-17,19H2,(H,27,29);1-9,11,14,18H,10,12-13,15-16H2,(H,24,26);2-5,7-8,11-12,19H,6,9-10,13-15H2,1H3,(H,22,24);2-8,11-12,16,19H,9-10,13-15H2,1H3,(H,22,24);2-8,10,14,16,18H,9,11-13,15H2,1H3,(H,22,24);1-5,8-9,12,16H,6-7,10-11,13H2,(H,24,26);2*1-4,6,9-10,14H,5,7-8,11-12H2,(H,22,24);1-4,7-8,11,15H,5-6,9-10,12H2,(H,24,26)/t;;;;16-;16-,18?;;;;/m....11..../s1 |
| InChIKey | RPZBUDGPCRRLMN-IVKRIESUSA-N |
| XLogP | 38.31 |
| TPSA | 520.57 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 265 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3672.64 |
| LogP ≤ 5 | 38.31 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 27 |