6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate

C144H200Cl6F3N25O12S2 — CID 159155227

About 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate

6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate (PubChem CID 159155227) has the molecular formula C144H200Cl6F3N25O12S2 and a molecular weight of 2807.19 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate.

Molecular Properties

• Compound Name: 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
• PubChem CID: 159155227
• Molecular Formula: C144H200Cl6F3N25O12S2
• Molecular Weight: 2807.19 g/mol
• Exact Mass: 2802.33
• IUPAC Name: 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
• SMILES: CCCCCCN(C(=O)Nc1ccc(F)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.CCOC(=O)CCNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(CC2CCCC2)C(=O)Nc2ccc(F)cc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(CC2CCCCC2)C(=O)Nc2ccc(F)cc2)CC1
• InChI: InChI=1S/C30H40Cl2FN5O2.C30H41ClFN5O2.C30H43ClFN5O2.C28H40ClN5O4S.C26H36ClN5O2S/c1-20-18-26(31)36-28(32)27(20)29(39)34-15-12-21(2)37-16-13-25(14-17-37)38(19-22-6-4-3-5-7-22)30(40)35-24-10-8-23(33)9-11-24;1-20-18-27(31)34-22(3)28(20)29(38)33-15-12-21(2)36-16-13-26(14-17-36)37(19-23-6-4-5-7-23)30(39)35-25-10-8-24(32)9-11-25;1-5-6-7-8-17-37(30(39)35-25-11-9-24(32)10-12-25)26-14-18-36(19-15-26)22(3)13-16-33-29(38)28-21(2)20-27(31)34-23(28)4;1-5-38-25(35)7-12-31-28(37)34(17-22-10-15-39-18-22)23-8-13-33(14-9-23)20(3)6-11-30-27(36)26-19(2)16-24(29)32-21(26)4;1-17-14-23(27)29-19(3)24(17)25(33)28-10-6-18(2)31-11-7-22(8-12-31)32(15-20-9-13-35-16-20)26(34)30-21-4-5-21/h8-11,18,21-22,25H,3-7,12-17,19H2,1-2H3,(H,34,39)(H,35,40);8-11,18,21,23,26H,4-7,12-17,19H2,1-3H3,(H,33,38)(H,35,39);9-12,20,22,26H,5-8,13-19H2,1-4H3,(H,33,38)(H,35,39);10,15-16,18,20,23H,5-9,11-14,17H2,1-4H3,(H,30,36)(H,31,37);9,13-14,16,18,21-22H,4-8,10-12,15H2,1-3H3,(H,28,33)(H,30,34)/t2*21-;22-;20-;18-/m11111/s1
• InChIKey: KJUOWYYSJJRBAB-WQRLAMFMSA-N
• XLogP: 29.00
• TPSA: 414.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 51
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2807.19
LogP ≤ 5	29.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?

The IUPAC name of 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate (CID 159155227) is 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate.

What is the SMILES notation for 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?

The canonical SMILES for 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate is CCCCCCN(C(=O)Nc1ccc(F)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.CCOC(=O)CCNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(CC2CCCC2)C(=O)Nc2ccc(F)cc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(CC2CCCCC2)C(=O)Nc2ccc(F)cc2)CC1.

What is the InChIKey of 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?

The InChIKey is KJUOWYYSJJRBAB-WQRLAMFMSA-N. The full InChI is InChI=1S/C30H40Cl2FN5O2.C30H41ClFN5O2.C30H43ClFN5O2.C28H40ClN5O4S.C26H36ClN5O2S/c1-20-18-26(31)36-28(32)27(20)29(39)34-15-12-21(2)37-16-13-25(14-17-37)38(19-22-6-4-3-5-7-22)30(40)35-24-10-8-23(33)9-11-24;1-20-18-27(31)34-22(3)28(20)29(38)33-15-12-21(2)36-16-13-26(14-17-36)37(19-23-6-4-5-7-23)30(39)35-25-10-8-24(32)9-11-25;1-5-6-7-8-17-37(30(39)35-25-11-9-24(32)10-12-25)26-14-18-36(19-15-26)22(3)13-16-33-29(38)28-21(2)20-27(31)34-23(28)4;1-5-38-25(35)7-12-31-28(37)34(17-22-10-15-39-18-22)23-8-13-33(14-9-23)20(3)6-11-30-27(36)26-19(2)16-24(29)32-21(26)4;1-17-14-23(27)29-19(3)24(17)25(33)28-10-6-18(2)31-11-7-22(8-12-31)32(15-20-9-13-35-16-20)26(34)30-21-4-5-21/h8-11,18,21-22,25H,3-7,12-17,19H2,1-2H3,(H,34,39)(H,35,40);8-11,18,21,23,26H,4-7,12-17,19H2,1-3H3,(H,33,38)(H,35,39);9-12,20,22,26H,5-8,13-19H2,1-4H3,(H,33,38)(H,35,39);10,15-16,18,20,23H,5-9,11-14,17H2,1-4H3,(H,30,36)(H,31,37);9,13-14,16,18,21-22H,4-8,10-12,15H2,1-3H3,(H,28,33)(H,30,34)/t2*21-;22-;20-;18-/m11111/s1.

What are the key properties of 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?

6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate has a molecular weight of 2807.19 g/mol, XLogP of 29.00, 51 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[cyclohexylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 159155227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).