6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

C141H184Cl6N28O12S5 — CID 161415477

IUPAC6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCC(C)=CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCCC2=O)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccc[n+]([O-])c2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cccnc2)CC1.Cc1cnc(CNC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cn1
InChIInChI=1S/C29H38ClN7O2S.C29H37ClN6O3S.C29H37ClN6O2S.C28H38ClN5O3S.C26H34Cl2N4O2S/c1-19-13-26(30)35-22(4)27(19)28(38)31-9-5-21(3)36-10-6-25(7-11-36)37(17-23-8-12-40-18-23)29(39)34-16-24-15-32-20(2)14-33-24;1-20-15-26(30)33-22(3)27(20)28(37)31-10-6-21(2)34-12-7-25(8-13-34)36(18-24-9-14-40-19-24)29(38)32-16-23-5-4-11-35(39)17-23;1-20-15-26(30)34-22(3)27(20)28(37)32-11-6-21(2)35-12-7-25(8-13-35)36(18-24-9-14-39-19-24)29(38)33-17-23-5-4-10-31-16-23;1-19-15-24(29)31-21(3)27(19)28(37)30-10-6-20(2)32-12-7-23(8-13-32)34(16-22-9-14-38-18-22)26(36)17-33-11-4-5-25(33)35;1-17(2)13-23(33)32(15-20-8-12-35-16-20)21-6-10-31(11-7-21)19(4)5-9-29-26(34)24-18(3)14-22(27)30-25(24)28/h8,12-15,18,21,25H,5-7,9-11,16-17H2,1-4H3,(H,31,38)(H,34,39);4-5,9,11,14-15,17,19,21,25H,6-8,10,12-13,16,18H2,1-3H3,(H,31,37)(H,32,38);4-5,9-10,14-16,19,21,25H,6-8,11-13,17-18H2,1-3H3,(H,32,37)(H,33,38);9,14-15,18,20,23H,4-8,10-13,16-17H2,1-3H3,(H,30,37);8,12-14,16,19,21H,5-7,9-11,15H2,1-4H3,(H,29,34)/t3*21-;20-;19-/m11111/s1
InChIKeyVWAJQFNFKXMUDX-ROHSDGOUSA-N
MW2836.26 g/mol
LogP24.28
Rot. Bonds49

About 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 161415477) has the molecular formula C141H184Cl6N28O12S5 and a molecular weight of 2836.26 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID161415477
Molecular FormulaC141H184Cl6N28O12S5
Molecular Weight2836.26 g/mol
Exact Mass2831.14
IUPAC Name6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCC(C)=CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCCC2=O)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccc[n+]([O-])c2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cccnc2)CC1.Cc1cnc(CNC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cn1
InChIInChI=1S/C29H38ClN7O2S.C29H37ClN6O3S.C29H37ClN6O2S.C28H38ClN5O3S.C26H34Cl2N4O2S/c1-19-13-26(30)35-22(4)27(19)28(38)31-9-5-21(3)36-10-6-25(7-11-36)37(17-23-8-12-40-18-23)29(39)34-16-24-15-32-20(2)14-33-24;1-20-15-26(30)33-22(3)27(20)28(37)31-10-6-21(2)34-12-7-25(8-13-34)36(18-24-9-14-40-19-24)29(38)32-16-23-5-4-11-35(39)17-23;1-20-15-26(30)34-22(3)27(20)28(37)32-11-6-21(2)35-12-7-25(8-13-35)36(18-24-9-14-39-19-24)29(38)33-17-23-5-4-10-31-16-23;1-19-15-24(29)31-21(3)27(19)28(37)30-10-6-20(2)32-12-7-23(8-13-32)34(16-22-9-14-38-18-22)26(36)17-33-11-4-5-25(33)35;1-17(2)13-23(33)32(15-20-8-12-35-16-20)21-6-10-31(11-7-21)19(4)5-9-29-26(34)24-18(3)14-22(27)30-25(24)28/h8,12-15,18,21,25H,5-7,9-11,16-17H2,1-4H3,(H,31,38)(H,34,39);4-5,9,11,14-15,17,19,21,25H,6-8,10,12-13,16,18H2,1-3H3,(H,31,37)(H,32,38);4-5,9-10,14-16,19,21,25H,6-8,11-13,17-18H2,1-3H3,(H,32,37)(H,33,38);9,14-15,18,20,23H,4-8,10-13,16-17H2,1-3H3,(H,30,37);8,12-14,16,19,21H,5-7,9-11,15H2,1-4H3,(H,29,34)/t3*21-;20-;19-/m11111/s1
InChIKeyVWAJQFNFKXMUDX-ROHSDGOUSA-N
XLogP24.28
TPSA449.71 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds49
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002836.26
LogP ≤ 524.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 161415477) is 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is CC(C)=CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCCC2=O)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccc[n+]([O-])c2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cccnc2)CC1.Cc1cnc(CNC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cn1.
What is the InChIKey of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is VWAJQFNFKXMUDX-ROHSDGOUSA-N. The full InChI is InChI=1S/C29H38ClN7O2S.C29H37ClN6O3S.C29H37ClN6O2S.C28H38ClN5O3S.C26H34Cl2N4O2S/c1-19-13-26(30)35-22(4)27(19)28(38)31-9-5-21(3)36-10-6-25(7-11-36)37(17-23-8-12-40-18-23)29(39)34-16-24-15-32-20(2)14-33-24;1-20-15-26(30)33-22(3)27(20)28(37)31-10-6-21(2)34-12-7-25(8-13-34)36(18-24-9-14-40-19-24)29(38)32-16-23-5-4-11-35(39)17-23;1-20-15-26(30)34-22(3)27(20)28(37)32-11-6-21(2)35-12-7-25(8-13-35)36(18-24-9-14-39-19-24)29(38)33-17-23-5-4-10-31-16-23;1-19-15-24(29)31-21(3)27(19)28(37)30-10-6-20(2)32-12-7-23(8-13-32)34(16-22-9-14-38-18-22)26(36)17-33-11-4-5-25(33)35;1-17(2)13-23(33)32(15-20-8-12-35-16-20)21-6-10-31(11-7-21)19(4)5-9-29-26(34)24-18(3)14-22(27)30-25(24)28/h8,12-15,18,21,25H,5-7,9-11,16-17H2,1-4H3,(H,31,38)(H,34,39);4-5,9,11,14-15,17,19,21,25H,6-8,10,12-13,16,18H2,1-3H3,(H,31,37)(H,32,38);4-5,9-10,14-16,19,21,25H,6-8,11-13,17-18H2,1-3H3,(H,32,37)(H,33,38);9,14-15,18,20,23H,4-8,10-13,16-17H2,1-3H3,(H,30,37);8,12-14,16,19,21H,5-7,9-11,15H2,1-4H3,(H,29,34)/t3*21-;20-;19-/m11111/s1.
What are the key properties of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 2836.26 g/mol, XLogP of 24.28, 49 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 161415477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).