N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide

C113H157Cl3F2N20O9S4 — CID 160644609

About N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide

N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 160644609) has the molecular formula C113H157Cl3F2N20O9S4 and a molecular weight of 2212.25 g/mol. Its IUPAC name is N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
• PubChem CID: 160644609
• Molecular Formula: C113H157Cl3F2N20O9S4
• Molecular Weight: 2212.25 g/mol
• Exact Mass: 2209.04
• IUPAC Name: N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
• SMILES: Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccccc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCCO)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCC(F)(F)CC2)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CCC2CCCCC2)CC1
• InChI: InChI=1S/C30H38ClN5O2S.C30H45N5O2S.C29H41F2N5O2S.C24H33Cl2N5O3S/c1-21-17-27(31)34-23(3)28(21)29(37)32-13-9-22(2)35-14-10-26(11-15-35)36(19-25-12-16-39-20-25)30(38)33-18-24-7-5-4-6-8-24;1-22(11-15-31-30(37)29-23(2)32-21-33-24(29)3)34-16-12-27(13-17-34)35(19-26-14-18-38-20-26)28(36)10-9-25-7-5-4-6-8-25;1-20(6-12-32-28(38)27-21(2)33-19-34-22(27)3)35-13-7-25(8-14-35)36(17-24-9-15-39-18-24)26(37)16-23-4-10-29(30,31)11-5-23;1-16-13-20(25)29-22(26)21(16)23(33)27-7-3-17(2)30-9-4-19(5-10-30)31(24(34)28-8-11-32)14-18-6-12-35-15-18/h4-8,12,16-17,20,22,26H,9-11,13-15,18-19H2,1-3H3,(H,32,37)(H,33,38);14,18,20-22,25,27H,4-13,15-17,19H2,1-3H3,(H,31,37);9,15,18-20,23,25H,4-8,10-14,16-17H2,1-3H3,(H,32,38);6,12-13,15,17,19,32H,3-5,7-11,14H2,1-2H3,(H,27,33)(H,28,34)/t;;;17-/m...1/s1
• InChIKey: RJPVUXMNLNHYTN-SFXRAUSLSA-N
• XLogP: 20.62
• TPSA: 332.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 41
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2212.25
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

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-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?

The IUPAC name of N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide (CID 160644609) is N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide.

What is the SMILES notation for N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?

The canonical SMILES for N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccccc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCCO)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCC(F)(F)CC2)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CCC2CCCCC2)CC1.

What is the InChIKey of N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?

The InChIKey is RJPVUXMNLNHYTN-SFXRAUSLSA-N. The full InChI is InChI=1S/C30H38ClN5O2S.C30H45N5O2S.C29H41F2N5O2S.C24H33Cl2N5O3S/c1-21-17-27(31)34-23(3)28(21)29(37)32-13-9-22(2)35-14-10-26(11-15-35)36(19-25-12-16-39-20-25)30(38)33-18-24-7-5-4-6-8-24;1-22(11-15-31-30(37)29-23(2)32-21-33-24(29)3)34-16-12-27(13-17-34)35(19-26-14-18-38-20-26)28(36)10-9-25-7-5-4-6-8-25;1-20(6-12-32-28(38)27-21(2)33-19-34-22(27)3)35-13-7-25(8-14-35)36(17-24-9-15-39-18-24)26(37)16-23-4-10-29(30,31)11-5-23;1-16-13-20(25)29-22(26)21(16)23(33)27-7-3-17(2)30-9-4-19(5-10-30)31(24(34)28-8-11-32)14-18-6-12-35-15-18/h4-8,12,16-17,20,22,26H,9-11,13-15,18-19H2,1-3H3,(H,32,37)(H,33,38);14,18,20-22,25,27H,4-13,15-17,19H2,1-3H3,(H,31,37);9,15,18-20,23,25H,4-8,10-14,16-17H2,1-3H3,(H,32,38);6,12-13,15,17,19,32H,3-5,7-11,14H2,1-2H3,(H,27,33)(H,28,34)/t;;;17-/m...1/s1.

What are the key properties of N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?

N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 2212.25 g/mol, XLogP of 20.62, 41 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 160644609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).