(2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide
C230H274Cl2N36O10 — CID 157419834
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.CCN(CC)C(=O)C1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccc(Cl)cc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(C)(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccc(Cl)cc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(C)(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(C)CC3)cn2)c2ccccc2)cc1
InChIInChI=1S/2C32H41N5O2.2C29H36N4O.2C28H34N4O.2C26H26ClN5O/c2*1-4-36(5-2)32(39)27-18-21-37(22-19-27)28-15-16-29(34-23-28)35-31(38)30(26-9-7-6-8-10-26)33-20-17-25-13-11-24(3)12-14-25;2*1-22-9-11-23(12-10-22)15-18-30-27(24-7-5-4-6-8-24)28(34)32-26-14-13-25(21-31-26)33-19-16-29(2,3)17-20-33;2*1-21-8-10-23(11-9-21)14-17-29-27(24-6-4-3-5-7-24)28(33)31-26-13-12-25(20-30-26)32-18-15-22(2)16-19-32;2*1-18-3-5-19(6-4-18)13-14-28-25(20-7-10-23(27)11-8-20)26(33)31-24-12-9-21(15-29-24)22-16-30-32(2)17-22/h2*6-16,23,27,30,33H,4-5,17-22H2,1-3H3,(H,34,35,38);2*4-14,21,27,30H,15-20H2,1-3H3,(H,31,32,34);2*3-13,20,22,27,29H,14-19H2,1-2H3,(H,30,31,33);2*3-12,15-17,25,28H,13-14H2,1-2H3,(H,29,31,33)/t2*30-;4*27-;2*25-/m10101010/s1
InChIKeyBPGWZLAXJSYKKY-BSFOPOLQSA-N
MW3773.87 g/mol
LogP41.22
Rot. Bonds70
About (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide
(2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 157419834) has the molecular formula C230H274Cl2N36O10 and a molecular weight of 3773.87 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide.
Molecular Properties
| Compound Name | (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide |
|---|---|
| PubChem CID | 157419834 |
| Molecular Formula | C230H274Cl2N36O10 |
| Molecular Weight | 3773.87 g/mol |
| Exact Mass | 3770.14 |
| IUPAC Name | (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide |
| SMILES | CCN(CC)C(=O)C1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.CCN(CC)C(=O)C1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccc(Cl)cc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(C)(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccc(Cl)cc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(C)(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(C)CC3)cn2)c2ccccc2)cc1 |
| InChI | InChI=1S/2C32H41N5O2.2C29H36N4O.2C28H34N4O.2C26H26ClN5O/c2*1-4-36(5-2)32(39)27-18-21-37(22-19-27)28-15-16-29(34-23-28)35-31(38)30(26-9-7-6-8-10-26)33-20-17-25-13-11-24(3)12-14-25;2*1-22-9-11-23(12-10-22)15-18-30-27(24-7-5-4-6-8-24)28(34)32-26-14-13-25(21-31-26)33-19-16-29(2,3)17-20-33;2*1-21-8-10-23(11-9-21)14-17-29-27(24-6-4-3-5-7-24)28(33)31-26-13-12-25(20-30-26)32-18-15-22(2)16-19-32;2*1-18-3-5-19(6-4-18)13-14-28-25(20-7-10-23(27)11-8-20)26(33)31-24-12-9-21(15-29-24)22-16-30-32(2)17-22/h2*6-16,23,27,30,33H,4-5,17-22H2,1-3H3,(H,34,35,38);2*4-14,21,27,30H,15-20H2,1-3H3,(H,31,32,34);2*3-13,20,22,27,29H,14-19H2,1-2H3,(H,30,31,33);2*3-12,15-17,25,28H,13-14H2,1-2H3,(H,29,31,33)/t2*30-;4*27-;2*25-/m10101010/s1 |
| InChIKey | BPGWZLAXJSYKKY-BSFOPOLQSA-N |
| XLogP | 41.22 |
| TPSA | 527.86 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 278 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3773.87 |
| LogP ≤ 5 | 41.22 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 36 |
Frequently Asked Questions
What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide (CID 157419834) is (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide is CCN(CC)C(=O)C1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.CCN(CC)C(=O)C1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccc(Cl)cc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(C)(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccc(Cl)cc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(C)(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(C)CC3)cn2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is BPGWZLAXJSYKKY-BSFOPOLQSA-N. The full InChI is InChI=1S/2C32H41N5O2.2C29H36N4O.2C28H34N4O.2C26H26ClN5O/c2*1-4-36(5-2)32(39)27-18-21-37(22-19-27)28-15-16-29(34-23-28)35-31(38)30(26-9-7-6-8-10-26)33-20-17-25-13-11-24(3)12-14-25;2*1-22-9-11-23(12-10-22)15-18-30-27(24-7-5-4-6-8-24)28(34)32-26-14-13-25(21-31-26)33-19-16-29(2,3)17-20-33;2*1-21-8-10-23(11-9-21)14-17-29-27(24-6-4-3-5-7-24)28(33)31-26-13-12-25(20-30-26)32-18-15-22(2)16-19-32;2*1-18-3-5-19(6-4-18)13-14-28-25(20-7-10-23(27)11-8-20)26(33)31-24-12-9-21(15-29-24)22-16-30-32(2)17-22/h2*6-16,23,27,30,33H,4-5,17-22H2,1-3H3,(H,34,35,38);2*4-14,21,27,30H,15-20H2,1-3H3,(H,31,32,34);2*3-13,20,22,27,29H,14-19H2,1-2H3,(H,30,31,33);2*3-12,15-17,25,28H,13-14H2,1-2H3,(H,29,31,33)/t2*30-;4*27-;2*25-/m10101010/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide?
(2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 3773.87 g/mol, XLogP of 41.22, 70 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;N,N-diethyl-1-[6-[[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;N,N-diethyl-1-[6-[[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]piperidine-4-carboxamide;(2S)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 157419834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157419834 — identifiers, structure, computed properties (public domain)
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