C156H189Cl3F2N32O13 — CID 163677209
N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(6-chloro-3-pyridinyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N,1-dimethylcyclobutane-1-carboxamide;3,3-difluoro-N-methyl-N-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide;N-[(3S)-1-[6-[[6-(dimethylamino)-3-pyridinyl]methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;3-methyl-1-[6-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile;N-methyl-N-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 163677209) has the molecular formula C156H189Cl3F2N32O13 and a molecular weight of 2864.79 g/mol. Its IUPAC name is N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(6-chloro-3-pyridinyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N,1-dimethylcyclobutane-1-carboxamide;3,3-difluoro-N-methyl-N-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide;N-[(3S)-1-[6-[[6-(dimethylamino)-3-pyridinyl]methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;3-methyl-1-[6-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile;N-methyl-N-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide.
| Compound Name | N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(6-chloro-3-pyridinyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N,1-dimethylcyclobutane-1-carboxamide;3,3-difluoro-N-methyl-N-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide;N-[(3S)-1-[6-[[6-(dimethylamino)-3-pyridinyl]methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;3-methyl-1-[6-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile;N-methyl-N-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide |
|---|---|
| PubChem CID | 163677209 |
| Molecular Formula | C156H189Cl3F2N32O13 |
| Molecular Weight | 2864.79 g/mol |
| Exact Mass | 2861.41 |
| IUPAC Name | N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(6-chloro-3-pyridinyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N,1-dimethylcyclobutane-1-carboxamide;3,3-difluoro-N-methyl-N-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide;N-[(3S)-1-[6-[[6-(dimethylamino)-3-pyridinyl]methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;3-methyl-1-[6-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile;N-methyl-N-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide |
| SMILES | CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3ccc(Cl)cc3)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccc(Cl)nc3)nc2)C1.CN(C(=O)C1(C)CCC1)[C@H]1CCN(C(=O)c2ccc(NCc3ccc(Cl)nc3)nc2)C1.CN(C(=O)C1CC(F)(F)C1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)c3ccccc3)nc2)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)c3ccccc3)nc2)C1.CN(C)c1ccc(CNc2ccc(C(=O)N3CC[C@H](N(C)C(=O)C4CC4)C3)cn2)cn1.C[C@H](Nc1ccc(C(=O)N2CCC(C)(C#N)C2)cn1)c1ccccc1 |
| InChI | InChI=1S/C25H30F2N4O2.C25H32N4O2.C23H28ClN5O2.C23H30N6O2.C20H24ClN5O2.C20H23ClN4O2.C20H22N4O/c1-24(2,19-7-5-4-6-8-19)29-21-10-9-17(15-28-21)23(33)31-12-11-20(16-31)30(3)22(32)18-13-25(26,27)14-18;1-25(2,20-10-5-4-6-11-20)27-22-13-12-19(16-26-22)24(31)29-15-14-21(17-29)28(3)23(30)18-8-7-9-18;1-23(9-3-10-23)22(31)28(2)18-8-11-29(15-18)21(30)17-5-7-20(27-14-17)26-13-16-4-6-19(24)25-12-16;1-27(2)21-9-4-16(13-26-21)12-24-20-8-7-18(14-25-20)23(31)29-11-10-19(15-29)28(3)22(30)17-5-6-17;1-13(15-4-6-18(21)22-10-15)24-19-7-5-16(11-23-19)20(28)26-9-8-17(12-26)25(3)14(2)27;1-14(26)24(2)18-9-10-25(13-18)20(27)16-5-8-19(23-12-16)22-11-15-3-6-17(21)7-4-15;1-15(16-6-4-3-5-7-16)23-18-9-8-17(12-22-18)19(25)24-11-10-20(2,13-21)14-24/h4-10,15,18,20H,11-14,16H2,1-3H3,(H,28,29);4-6,10-13,16,18,21H,7-9,14-15,17H2,1-3H3,(H,26,27);4-7,12,14,18H,3,8-11,13,15H2,1-2H3,(H,26,27);4,7-9,13-14,17,19H,5-6,10-12,15H2,1-3H3,(H,24,25);4-7,10-11,13,17H,8-9,12H2,1-3H3,(H,23,24);3-8,12,18H,9-11,13H2,1-2H3,(H,22,23);3-9,12,15H,10-11,14H2,1-2H3,(H,22,23)/t20-;21-;18-;19-;13-,17-;18-;15-,20?/m0000000/s1 |
| InChIKey | JHRRXZDFBDAVOH-GQEVERRWSA-N |
| XLogP | 23.56 |
| TPSA | 504.17 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2864.79 |
| LogP ≤ 5 | 23.56 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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