N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
C143H206ClN29O17S5 — CID 159635815
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
SMILESC=CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N3CCCC3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NCC(C)C)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2cscn2)C(=O)CN2CCOC2=O)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccccc2)C(=S)CC2CCCCC2)CC1
InChIInChI=1S/C31H45N5OS.C29H42N6O4S.C29H44N6O4S.C28H40N6O4S.C26H35ClN6O4S/c1-23(14-17-32-31(37)30-24(2)33-22-34-25(30)3)35-18-15-28(16-19-35)36(21-27-12-8-5-9-13-27)29(38)20-26-10-6-4-7-11-26;1-20-17-25(28(37)34-12-5-6-13-34)31-22(3)26(20)27(36)30-11-7-21(2)33-14-8-24(9-15-33)35(29(38)32-39-4)18-23-10-16-40-19-23;1-19(2)16-31-27(36)25-15-20(3)26(22(5)32-25)28(37)30-11-7-21(4)34-12-8-24(9-13-34)35(29(38)33-39-6)17-23-10-14-40-18-23;1-6-11-29-26(35)24-16-19(2)25(21(4)31-24)27(36)30-12-7-20(3)33-13-8-23(9-14-33)34(28(37)32-38-5)17-22-10-15-39-18-22;1-17-12-22(27)30-19(3)24(17)25(35)28-7-4-18(2)31-8-5-21(6-9-31)33(13-20-15-38-16-29-20)23(34)14-32-10-11-37-26(32)36/h5,8-9,12-13,22-23,26,28H,4,6-7,10-11,14-21H2,1-3H3,(H,32,37);10,16-17,19,21,24H,5-9,11-15,18H2,1-4H3,(H,30,36)(H,32,38);10,14-15,18-19,21,24H,7-9,11-13,16-17H2,1-6H3,(H,30,37)(H,31,36)(H,33,38);6,10,15-16,18,20,23H,1,7-9,11-14,17H2,2-5H3,(H,29,35)(H,30,36)(H,32,37);12,15-16,18,21H,4-11,13-14H2,1-3H3,(H,28,35)/t;2*21-;20-;18-/m.1111/s1
InChIKeyMPSORZVFUWUNTF-YKYSLLKXSA-N
MW2799.19 g/mol
LogP20.18
Rot. Bonds54
About N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 159635815) has the molecular formula C143H206ClN29O17S5 and a molecular weight of 2799.19 g/mol. Its IUPAC name is N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159635815 |
| Molecular Formula | C143H206ClN29O17S5 |
| Molecular Weight | 2799.19 g/mol |
| Exact Mass | 2796.44 |
| IUPAC Name | N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide |
| SMILES | C=CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N3CCCC3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NCC(C)C)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2cscn2)C(=O)CN2CCOC2=O)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccccc2)C(=S)CC2CCCCC2)CC1 |
| InChI | InChI=1S/C31H45N5OS.C29H42N6O4S.C29H44N6O4S.C28H40N6O4S.C26H35ClN6O4S/c1-23(14-17-32-31(37)30-24(2)33-22-34-25(30)3)35-18-15-28(16-19-35)36(21-27-12-8-5-9-13-27)29(38)20-26-10-6-4-7-11-26;1-20-17-25(28(37)34-12-5-6-13-34)31-22(3)26(20)27(36)30-11-7-21(2)33-14-8-24(9-15-33)35(29(38)32-39-4)18-23-10-16-40-19-23;1-19(2)16-31-27(36)25-15-20(3)26(22(5)32-25)28(37)30-11-7-21(4)34-12-8-24(9-13-34)35(29(38)33-39-6)17-23-10-14-40-18-23;1-6-11-29-26(35)24-16-19(2)25(21(4)31-24)27(36)30-12-7-20(3)33-13-8-23(9-14-33)34(28(37)32-38-5)17-22-10-15-39-18-22;1-17-12-22(27)30-19(3)24(17)25(35)28-7-4-18(2)31-8-5-21(6-9-31)33(13-20-15-38-16-29-20)23(34)14-32-10-11-37-26(32)36/h5,8-9,12-13,22-23,26,28H,4,6-7,10-11,14-21H2,1-3H3,(H,32,37);10,16-17,19,21,24H,5-9,11-15,18H2,1-4H3,(H,30,36)(H,32,38);10,14-15,18-19,21,24H,7-9,11-13,16-17H2,1-6H3,(H,30,37)(H,31,36)(H,33,38);6,10,15-16,18,20,23H,1,7-9,11-14,17H2,2-5H3,(H,29,35)(H,30,36)(H,32,37);12,15-16,18,21H,4-11,13-14H2,1-3H3,(H,28,35)/t;2*21-;20-;18-/m.1111/s1 |
| InChIKey | MPSORZVFUWUNTF-YKYSLLKXSA-N |
| XLogP | 20.18 |
| TPSA | 508.24 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 195 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2799.19 |
| LogP ≤ 5 | 20.18 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 34 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide (CID 159635815) is N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide is C=CCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N3CCCC3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NCC(C)C)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2cscn2)C(=O)CN2CCOC2=O)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccccc2)C(=S)CC2CCCCC2)CC1.
What is the InChIKey of N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is MPSORZVFUWUNTF-YKYSLLKXSA-N. The full InChI is InChI=1S/C31H45N5OS.C29H42N6O4S.C29H44N6O4S.C28H40N6O4S.C26H35ClN6O4S/c1-23(14-17-32-31(37)30-24(2)33-22-34-25(30)3)35-18-15-28(16-19-35)36(21-27-12-8-5-9-13-27)29(38)20-26-10-6-4-7-11-26;1-20-17-25(28(37)34-12-5-6-13-34)31-22(3)26(20)27(36)30-11-7-21(2)33-14-8-24(9-15-33)35(29(38)32-39-4)18-23-10-16-40-19-23;1-19(2)16-31-27(36)25-15-20(3)26(22(5)32-25)28(37)30-11-7-21(4)34-12-8-24(9-13-34)35(29(38)33-39-6)17-23-10-14-40-18-23;1-6-11-29-26(35)24-16-19(2)25(21(4)31-24)27(36)30-12-7-20(3)33-13-8-23(9-14-33)34(28(37)32-38-5)17-22-10-15-39-18-22;1-17-12-22(27)30-19(3)24(17)25(35)28-7-4-18(2)31-8-5-21(6-9-31)33(13-20-15-38-16-29-20)23(34)14-32-10-11-37-26(32)36/h5,8-9,12-13,22-23,26,28H,4,6-7,10-11,14-21H2,1-3H3,(H,32,37);10,16-17,19,21,24H,5-9,11-15,18H2,1-4H3,(H,30,36)(H,32,38);10,14-15,18-19,21,24H,7-9,11-13,16-17H2,1-6H3,(H,30,37)(H,31,36)(H,33,38);6,10,15-16,18,20,23H,1,7-9,11-14,17H2,2-5H3,(H,29,35)(H,30,36)(H,32,37);12,15-16,18,21H,4-11,13-14H2,1-3H3,(H,28,35)/t;2*21-;20-;18-/m.1111/s1.
What are the key properties of N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 2799.19 g/mol, XLogP of 20.18, 54 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 159635815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159635815 — identifiers, structure, computed properties (public domain)
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