C137H198N18O9 — CID 162124788
N-(2-aminoethyl)-1-(5-propan-2-yl-2-pyridinyl)piperidine-4-carboxamide;(4S)-4-amino-5-methyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;1-amino-4-(5-propan-2-yl-3-pyridinyl)butan-2-one;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;1-(5-propan-2-yl-2-pyridinyl)piperidin-4-amine;3-propan-2-yl-5-pyrrolidin-3-ylpyridine (PubChem CID 162124788) has the molecular formula C137H198N18O9 and a molecular weight of 2241.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(5-propan-2-yl-2-pyridinyl)piperidine-4-carboxamide;(4S)-4-amino-5-methyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;1-amino-4-(5-propan-2-yl-3-pyridinyl)butan-2-one;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;1-(5-propan-2-yl-2-pyridinyl)piperidin-4-amine;3-propan-2-yl-5-pyrrolidin-3-ylpyridine.
| Compound Name | N-(2-aminoethyl)-1-(5-propan-2-yl-2-pyridinyl)piperidine-4-carboxamide;(4S)-4-amino-5-methyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;1-amino-4-(5-propan-2-yl-3-pyridinyl)butan-2-one;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;1-(5-propan-2-yl-2-pyridinyl)piperidin-4-amine;3-propan-2-yl-5-pyrrolidin-3-ylpyridine |
|---|---|
| PubChem CID | 162124788 |
| Molecular Formula | C137H198N18O9 |
| Molecular Weight | 2241.21 g/mol |
| Exact Mass | 2239.56 |
| IUPAC Name | N-(2-aminoethyl)-1-(5-propan-2-yl-2-pyridinyl)piperidine-4-carboxamide;(4S)-4-amino-5-methyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;1-amino-4-(5-propan-2-yl-3-pyridinyl)butan-2-one;benzyl (2S)-2-[3-(5-propan-2-yl-3-pyridinyl)propanoyl]pyrrolidine-1-carboxylate;(4S)-4,5-dimethyl-1-(5-propan-2-yl-3-pyridinyl)hexan-3-one;(2S)-2-methyl-1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;1-(5-propan-2-yl-2-pyridinyl)piperidin-4-amine;3-propan-2-yl-5-pyrrolidin-3-ylpyridine |
| SMILES | CC(=O)c1ccc(C(C)C)cn1.CC(C)c1ccc(N2CCC(C(=O)NCCN)CC2)nc1.CC(C)c1ccc(N2CCC(N)CC2)nc1.CC(C)c1cncc(C2CCNC2)c1.CC(C)c1cncc(CCC(=O)CN)c1.CC(C)c1cncc(CCC(=O)[C@@H](C)C(C)C)c1.CC(C)c1cncc(CCC(=O)[C@@H](C)Cc2ccccc2)c1.CC(C)c1cncc(CCC(=O)[C@@H](N)C(C)C)c1.CC(C)c1cncc(CCC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1 |
| InChI | InChI=1S/C23H28N2O3.C20H25NO.C16H26N4O.C16H25NO.C15H24N2O.C13H21N3.C12H18N2O.C12H18N2.C10H13NO/c1-17(2)20-13-19(14-24-15-20)10-11-22(26)21-9-6-12-25(21)23(27)28-16-18-7-4-3-5-8-18;1-15(2)19-12-18(13-21-14-19)9-10-20(22)16(3)11-17-7-5-4-6-8-17;1-12(2)14-3-4-15(19-11-14)20-9-5-13(6-10-20)16(21)18-8-7-17;1-11(2)13(5)16(18)7-6-14-8-15(12(3)4)10-17-9-14;1-10(2)13-7-12(8-17-9-13)5-6-14(18)15(16)11(3)4;1-10(2)11-3-4-13(15-9-11)16-7-5-12(14)6-8-16;1-9(2)11-5-10(7-14-8-11)3-4-12(15)6-13;1-9(2)11-5-12(8-14-7-11)10-3-4-13-6-10;1-7(2)9-4-5-10(8(3)12)11-6-9/h3-5,7-8,13-15,17,21H,6,9-12,16H2,1-2H3;4-8,12-16H,9-11H2,1-3H3;3-4,11-13H,5-10,17H2,1-2H3,(H,18,21);8-13H,6-7H2,1-5H3;7-11,15H,5-6,16H2,1-4H3;3-4,9-10,12H,5-8,14H2,1-2H3;5,7-9H,3-4,6,13H2,1-2H3;5,7-10,13H,3-4,6H2,1-2H3;4-7H,1-3H3/t21-;16-;;13-;15-;;;;/m00.00..../s1 |
| InChIKey | ZHWOCNNWJVTFFT-QSXQOJMASA-N |
| XLogP | 25.77 |
| TPSA | 399.66 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2241.21 |
| LogP ≤ 5 | 25.77 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |