C204H225Cl3F9N31O12 — CID 157364598
N-[3,3-bis(4-fluorophenyl)propyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide (PubChem CID 157364598) has the molecular formula C204H225Cl3F9N31O12 and a molecular weight of 3580.59 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide.
| Compound Name | N-[3,3-bis(4-fluorophenyl)propyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 157364598 |
| Molecular Formula | C204H225Cl3F9N31O12 |
| Molecular Weight | 3580.59 g/mol |
| Exact Mass | 3576.69 |
| IUPAC Name | N-[3,3-bis(4-fluorophenyl)propyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-[(2S)-2-phenylpropyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxamide |
| SMILES | COc1ccc(CCNC(=O)N2CCC(Cc3cccnc3)CC2)cc1.C[C@H](CNC(=O)N1CCC(Cc2cccnc2)CC1)c1ccccc1.C[C@H](CNC(=O)N1CCC(c2ccncc2)C1)c1ccccc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(c2ccncc2)C1.O=C(NCCc1ccc(-c2ccccc2)cc1)N1CCC(c2ccncc2)C1.O=C(NCc1ccc(C(F)(F)F)nc1)N1CCC(Cc2cccnc2)CC1.O=C(NCc1ccc(Cl)cc1Cl)N1CCC(c2ccncc2)C1.O=C(NCc1ccc(F)cc1Cl)N1CCC(c2ccncc2)C1.O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC(Cc2cccnc2)CC1.O=C(NCc1cccc2ccccc12)N1CCC(c2ccncc2)C1 |
| InChI | InChI=1S/C25H25F2N3O.C24H25N3O.C21H27N3O2.C21H21N3O.C21H27N3O.C20H22F3N3O2.C19H21F3N4O.C19H23N3O.C17H17Cl2N3O.C17H17ClFN3O/c26-22-5-1-19(2-6-22)24(20-3-7-23(27)8-4-20)11-15-29-25(31)30-16-12-21(17-30)18-9-13-28-14-10-18;28-24(27-17-13-23(18-27)22-11-14-25-15-12-22)26-16-10-19-6-8-21(9-7-19)20-4-2-1-3-5-20;1-26-20-6-4-17(5-7-20)8-12-23-21(25)24-13-9-18(10-14-24)15-19-3-2-11-22-16-19;25-21(24-13-10-19(15-24)16-8-11-22-12-9-16)23-14-18-6-3-5-17-4-1-2-7-20(17)18;1-17(20-7-3-2-4-8-20)15-23-21(25)24-12-9-18(10-13-24)14-19-6-5-11-22-16-19;21-20(22,23)28-18-5-1-3-17(12-18)14-25-19(27)26-9-6-15(7-10-26)11-16-4-2-8-24-13-16;20-19(21,22)17-4-3-16(12-24-17)13-25-18(27)26-8-5-14(6-9-26)10-15-2-1-7-23-11-15;1-15(16-5-3-2-4-6-16)13-21-19(23)22-12-9-18(14-22)17-7-10-20-11-8-17;18-15-2-1-13(16(19)9-15)10-21-17(23)22-8-5-14(11-22)12-3-6-20-7-4-12;18-16-9-15(19)2-1-13(16)10-21-17(23)22-8-5-14(11-22)12-3-6-20-7-4-12/h1-10,13-14,21,24H,11-12,15-17H2,(H,29,31);1-9,11-12,14-15,23H,10,13,16-18H2,(H,26,28);2-7,11,16,18H,8-10,12-15H2,1H3,(H,23,25);1-9,11-12,19H,10,13-15H2,(H,23,25);2-8,11,16-18H,9-10,12-15H2,1H3,(H,23,25);1-5,8,12-13,15H,6-7,9-11,14H2,(H,25,27);1-4,7,11-12,14H,5-6,8-10,13H2,(H,25,27);2-8,10-11,15,18H,9,12-14H2,1H3,(H,21,23);2*1-4,6-7,9,14H,5,8,10-11H2,(H,21,23)/t;;;;17-;;;15-,18?;;/m....1..1../s1 |
| InChIKey | BJAMKJAKMJWHTJ-XGMSIIFFSA-N |
| XLogP | 39.50 |
| TPSA | 483.65 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 259 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3580.59 |
| LogP ≤ 5 | 39.50 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 23 |