6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide

C112H150Cl2N22O9S6 — CID 159575886

About 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide

6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide (PubChem CID 159575886) has the molecular formula C112H150Cl2N22O9S6 and a molecular weight of 2211.88 g/mol. Its IUPAC name is 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide
• PubChem CID: 159575886
• Molecular Formula: C112H150Cl2N22O9S6
• Molecular Weight: 2211.88 g/mol
• Exact Mass: 2208.97
• IUPAC Name: 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide
• SMILES: Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCCCC2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2c(C)noc2C)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CSc2ccccn2)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccsc2)CC1
• InChI: InChI=1S/C29H42ClN5O2S.C28H37ClN6O3S.C28H36N6O2S2.C27H35N5O2S2/c1-20-17-26(30)32-22(3)27(20)28(36)31-13-9-21(2)34-14-10-25(11-15-34)35(18-23-12-16-38-19-23)29(37)33-24-7-5-4-6-8-24;1-17-14-24(29)31-19(3)25(17)27(36)30-10-6-18(2)34-11-7-23(8-12-34)35(15-22-9-13-39-16-22)28(37)32-26-20(4)33-38-21(26)5;1-20(7-12-30-28(36)27-21(2)31-19-32-22(27)3)33-13-8-24(9-14-33)34(16-23-10-15-37-17-23)26(35)18-38-25-6-4-5-11-29-25;1-19(4-9-28-27(34)26-20(2)29-18-30-21(26)3)31-10-5-24(6-11-31)32(15-23-8-13-36-17-23)25(33)14-22-7-12-35-16-22/h12,16-17,19,21,24-25H,4-11,13-15,18H2,1-3H3,(H,31,36)(H,33,37);9,13-14,16,18,23H,6-8,10-12,15H2,1-5H3,(H,30,36)(H,32,37);4-6,10-11,15,17,19-20,24H,7-9,12-14,16,18H2,1-3H3,(H,30,36);7-8,12-13,16-19,24H,4-6,9-11,14-15H2,1-3H3,(H,28,34)/t;18-;;/m.1../s1
• InChIKey: MIKBFKOXMXERQT-CRHNKEMKSA-N
• XLogP: 20.46
• TPSA: 350.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 39
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2211.88
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide?

The IUPAC name of 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide (CID 159575886) is 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide.

What is the SMILES notation for 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide?

The canonical SMILES for 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCCCC2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2c(C)noc2C)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CSc2ccccn2)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccsc2)CC1.

What is the InChIKey of 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide?

The InChIKey is MIKBFKOXMXERQT-CRHNKEMKSA-N. The full InChI is InChI=1S/C29H42ClN5O2S.C28H37ClN6O3S.C28H36N6O2S2.C27H35N5O2S2/c1-20-17-26(30)32-22(3)27(20)28(36)31-13-9-21(2)34-14-10-25(11-15-34)35(18-23-12-16-38-19-23)29(37)33-24-7-5-4-6-8-24;1-17-14-24(29)31-19(3)25(17)27(36)30-10-6-18(2)34-11-7-23(8-12-34)35(15-22-9-13-39-16-22)28(37)32-26-20(4)33-38-21(26)5;1-20(7-12-30-28(36)27-21(2)31-19-32-22(27)3)33-13-8-24(9-14-33)34(16-23-10-15-37-17-23)26(35)18-38-25-6-4-5-11-29-25;1-19(4-9-28-27(34)26-20(2)29-18-30-21(26)3)31-10-5-24(6-11-31)32(15-23-8-13-36-17-23)25(33)14-22-7-12-35-16-22/h12,16-17,19,21,24-25H,4-11,13-15,18H2,1-3H3,(H,31,36)(H,33,37);9,13-14,16,18,23H,6-8,10-12,15H2,1-5H3,(H,30,36)(H,32,37);4-6,10-11,15,17,19-20,24H,7-9,12-14,16,18H2,1-3H3,(H,30,36);7-8,12-13,16-19,24H,4-6,9-11,14-15H2,1-3H3,(H,28,34)/t;18-;;/m.1../s1.

What are the key properties of 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide?

6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide has a molecular weight of 2211.88 g/mol, XLogP of 20.46, 39 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-pyridin-2-ylsulfanylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 159575886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).