N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide

C142H190Cl3N25O10S6 — CID 162130923

About N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide

N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide (PubChem CID 162130923) has the molecular formula C142H190Cl3N25O10S6 and a molecular weight of 2706.01 g/mol. Its IUPAC name is N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-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: N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide
• PubChem CID: 162130923
• Molecular Formula: C142H190Cl3N25O10S6
• Molecular Weight: 2706.01 g/mol
• Exact Mass: 2702.25
• IUPAC Name: N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-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)NC(C)(C)C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCCCC2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccccc2)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)C2Cc3ccccc32)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccsc2)CC1
• InChI: InChI=1S/C30H37N5O2S.C29H42ClN5O2S.C29H36ClN5O2S.C27H40ClN5O2S.C27H35N5O2S2/c1-20(8-12-31-29(36)28-21(2)32-19-33-22(28)3)34-13-9-25(10-14-34)35(17-23-11-15-38-18-23)30(37)27-16-24-6-4-5-7-26(24)27;2*1-20-17-26(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;1-18-15-23(28)30-20(3)24(18)25(34)29-11-7-19(2)32-12-8-22(9-13-32)33(16-21-10-14-36-17-21)26(35)31-27(4,5)6;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/h4-7,11,15,18-20,25,27H,8-10,12-14,16-17H2,1-3H3,(H,31,36);12,16-17,19,21,24-25H,4-11,13-15,18H2,1-3H3,(H,31,36)(H,33,37);4-8,12,16-17,19,21,25H,9-11,13-15,18H2,1-3H3,(H,31,36)(H,33,37);10,14-15,17,19,22H,7-9,11-13,16H2,1-6H3,(H,29,34)(H,31,35);7-8,12-13,16-19,24H,4-6,9-11,14-15H2,1-3H3,(H,28,34)
• InChIKey: ZIQOSEZXLMEYRU-UHFFFAOYSA-N
• XLogP: 26.40
• TPSA: 389.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 45
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2706.01
LogP ≤ 5	26.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-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 N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide (CID 162130923) is N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-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 N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-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 N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-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)NC(C)(C)C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCCCC2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccccc2)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)C2Cc3ccccc32)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccsc2)CC1.

What is the InChIKey of N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-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 ZIQOSEZXLMEYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O2S.C29H42ClN5O2S.C29H36ClN5O2S.C27H40ClN5O2S.C27H35N5O2S2/c1-20(8-12-31-29(36)28-21(2)32-19-33-22(28)3)34-13-9-25(10-14-34)35(17-23-11-15-38-18-23)30(37)27-16-24-6-4-5-7-26(24)27;2*1-20-17-26(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;1-18-15-23(28)30-20(3)24(18)25(34)29-11-7-19(2)32-12-8-22(9-13-32)33(16-21-10-14-36-17-21)26(35)31-27(4,5)6;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/h4-7,11,15,18-20,25,27H,8-10,12-14,16-17H2,1-3H3,(H,31,36);12,16-17,19,21,24-25H,4-11,13-15,18H2,1-3H3,(H,31,36)(H,33,37);4-8,12,16-17,19,21,25H,9-11,13-15,18H2,1-3H3,(H,31,36)(H,33,37);10,14-15,17,19,22H,7-9,11-13,16H2,1-6H3,(H,29,34)(H,31,35);7-8,12-13,16-19,24H,4-6,9-11,14-15H2,1-3H3,(H,28,34).

What are the key properties of N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;4,6-dimethyl-N-[3-[4-[(2-thiophen-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide?

N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-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 2706.01 g/mol, XLogP of 26.40, 45 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[tert-butylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-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 162130923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).