N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

C127H165Cl9N30O16S5 — CID 157370879

IUPACN-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCC(=O)NNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCOC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC2OCCO2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nn2cnnc2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)on1
InChIInChI=1S/C27H35ClN6O3S.C26H33Cl2N5O4S.C26H35Cl2N5O4S.C24H30Cl2N8O2S.C24H32Cl2N6O3S/c1-17-13-23(28)30-20(4)25(17)26(35)29-9-5-19(3)33-10-6-22(7-11-33)34(15-21-8-12-38-16-21)27(36)31-24-14-18(2)32-37-24;1-16-13-21(27)31-23(28)22(16)24(34)29-8-3-17(2)32-9-4-19(5-10-32)33(14-18-7-12-38-15-18)26(36)30-20-6-11-37-25(20)35;1-17-13-21(27)31-24(28)23(17)25(34)29-7-3-18(2)32-8-4-20(5-9-32)33(15-19-6-12-38-16-19)26(35)30-14-22-36-10-11-37-22;1-16-11-20(25)30-22(26)21(16)23(35)27-7-3-17(2)32-8-4-19(5-9-32)34(12-18-6-10-37-13-18)24(36)31-33-14-28-29-15-33;1-15-12-20(25)28-22(26)21(15)23(34)27-8-4-16(2)31-9-5-19(6-10-31)32(13-18-7-11-36-14-18)24(35)30-29-17(3)33/h8,12-14,16,19,22H,5-7,9-11,15H2,1-4H3,(H,29,35)(H,31,36);7,12-13,15,17,19-20H,3-6,8-11,14H2,1-2H3,(H,29,34)(H,30,36);6,12-13,16,18,20,22H,3-5,7-11,14-15H2,1-2H3,(H,29,34)(H,30,35);6,10-11,13-15,17,19H,3-5,7-9,12H2,1-2H3,(H,27,35)(H,31,36);7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3,(H,27,34)(H,29,33)(H,30,35)/t19-;17-,20?;18-;17-;16-/m11111/s1
InChIKeyBJTBRYZONMLDPQ-VUTNFYEUSA-N
MW2847.32 g/mol
LogP22.17
Rot. Bonds45

About N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 157370879) has the molecular formula C127H165Cl9N30O16S5 and a molecular weight of 2847.32 g/mol. Its IUPAC name is N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID157370879
Molecular FormulaC127H165Cl9N30O16S5
Molecular Weight2847.32 g/mol
Exact Mass2840.88
IUPAC NameN-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCC(=O)NNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCOC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC2OCCO2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nn2cnnc2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)on1
InChIInChI=1S/C27H35ClN6O3S.C26H33Cl2N5O4S.C26H35Cl2N5O4S.C24H30Cl2N8O2S.C24H32Cl2N6O3S/c1-17-13-23(28)30-20(4)25(17)26(35)29-9-5-19(3)33-10-6-22(7-11-33)34(15-21-8-12-38-16-21)27(36)31-24-14-18(2)32-37-24;1-16-13-21(27)31-23(28)22(16)24(34)29-8-3-17(2)32-9-4-19(5-10-32)33(14-18-7-12-38-15-18)26(36)30-20-6-11-37-25(20)35;1-17-13-21(27)31-24(28)23(17)25(34)29-7-3-18(2)32-8-4-20(5-9-32)33(15-19-6-12-38-16-19)26(35)30-14-22-36-10-11-37-22;1-16-11-20(25)30-22(26)21(16)23(35)27-7-3-17(2)32-8-4-19(5-9-32)34(12-18-6-10-37-13-18)24(36)31-33-14-28-29-15-33;1-15-12-20(25)28-22(26)21(15)23(34)27-8-4-16(2)31-9-5-19(6-10-31)32(13-18-7-11-36-14-18)24(35)30-29-17(3)33/h8,12-14,16,19,22H,5-7,9-11,15H2,1-4H3,(H,29,35)(H,31,36);7,12-13,15,17,19-20H,3-6,8-11,14H2,1-2H3,(H,29,34)(H,30,36);6,12-13,16,18,20,22H,3-5,7-11,14-15H2,1-2H3,(H,29,34)(H,30,35);6,10-11,13-15,17,19H,3-5,7-9,12H2,1-2H3,(H,27,35)(H,31,36);7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3,(H,27,34)(H,29,33)(H,30,35)/t19-;17-,20?;18-;17-;16-/m11111/s1
InChIKeyBJTBRYZONMLDPQ-VUTNFYEUSA-N
XLogP22.17
TPSA518.45 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds45
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002847.32
LogP ≤ 522.17
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 157122305
CID 158274402
CID 158274402
2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane
CID 159038817
6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide
CID 160349903
6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
CID 160839360
CID 161208591
CID 161208591
2,6-dichloro-N-[(3R)-3-[4-[cyanomethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(4-cyano-1H-pyrazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl 2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]acetate
CID 161290966
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
CID 162151148
6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
CID 162257167

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 157370879) is N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is CC(=O)NNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCOC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC2OCCO2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nn2cnnc2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)on1.
What is the InChIKey of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is BJTBRYZONMLDPQ-VUTNFYEUSA-N. The full InChI is InChI=1S/C27H35ClN6O3S.C26H33Cl2N5O4S.C26H35Cl2N5O4S.C24H30Cl2N8O2S.C24H32Cl2N6O3S/c1-17-13-23(28)30-20(4)25(17)26(35)29-9-5-19(3)33-10-6-22(7-11-33)34(15-21-8-12-38-16-21)27(36)31-24-14-18(2)32-37-24;1-16-13-21(27)31-23(28)22(16)24(34)29-8-3-17(2)32-9-4-19(5-10-32)33(14-18-7-12-38-15-18)26(36)30-20-6-11-37-25(20)35;1-17-13-21(27)31-24(28)23(17)25(34)29-7-3-18(2)32-8-4-20(5-9-32)33(15-19-6-12-38-16-19)26(35)30-14-22-36-10-11-37-22;1-16-11-20(25)30-22(26)21(16)23(35)27-7-3-17(2)32-8-4-19(5-9-32)34(12-18-6-10-37-13-18)24(36)31-33-14-28-29-15-33;1-15-12-20(25)28-22(26)21(15)23(34)27-8-4-16(2)31-9-5-19(6-10-31)32(13-18-7-11-36-14-18)24(35)30-29-17(3)33/h8,12-14,16,19,22H,5-7,9-11,15H2,1-4H3,(H,29,35)(H,31,36);7,12-13,15,17,19-20H,3-6,8-11,14H2,1-2H3,(H,29,34)(H,30,36);6,12-13,16,18,20,22H,3-5,7-11,14-15H2,1-2H3,(H,29,34)(H,30,35);6,10-11,13-15,17,19H,3-5,7-9,12H2,1-2H3,(H,27,35)(H,31,36);7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3,(H,27,34)(H,29,33)(H,30,35)/t19-;17-,20?;18-;17-;16-/m11111/s1.
What are the key properties of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 2847.32 g/mol, XLogP of 22.17, 45 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 157370879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).