6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate

C103H133Cl7N24O13S4 — CID 162151148

About 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate

6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate (PubChem CID 162151148) has the molecular formula C103H133Cl7N24O13S4 and a molecular weight of 2291.79 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate.

Molecular Properties

• Compound Name: 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
• PubChem CID: 162151148
• Molecular Formula: C103H133Cl7N24O13S4
• Molecular Weight: 2291.79 g/mol
• Exact Mass: 2286.72
• IUPAC Name: 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
• SMILES: COC(=O)[C@H](C)NC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCOC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nn2cnnc2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)on1
• InChI: InChI=1S/C27H35ClN6O3S.C26H33Cl2N5O4S.C26H35Cl2N5O4S.C24H30Cl2N8O2S/c1-17-13-23(28)30-20(4)25(17)26(35)29-9-5-19(3)33-10-6-22(7-11-33)34(15-21-8-12-38-16-21)27(36)31-24-14-18(2)32-37-24;1-16-13-21(27)31-23(28)22(16)24(34)29-8-3-17(2)32-9-4-19(5-10-32)33(14-18-7-12-38-15-18)26(36)30-20-6-11-37-25(20)35;1-16-13-21(27)31-23(28)22(16)24(34)29-9-5-17(2)32-10-6-20(7-11-32)33(14-19-8-12-38-15-19)26(36)30-18(3)25(35)37-4;1-16-11-20(25)30-22(26)21(16)23(35)27-7-3-17(2)32-8-4-19(5-9-32)34(12-18-6-10-37-13-18)24(36)31-33-14-28-29-15-33/h8,12-14,16,19,22H,5-7,9-11,15H2,1-4H3,(H,29,35)(H,31,36);7,12-13,15,17,19-20H,3-6,8-11,14H2,1-2H3,(H,29,34)(H,30,36);8,12-13,15,17-18,20H,5-7,9-11,14H2,1-4H3,(H,29,34)(H,30,36);6,10-11,13-15,17,19H,3-5,7-9,12H2,1-2H3,(H,27,35)(H,31,36)/t19-;17-,20?;17-,18+;17-/m1111/s1
• InChIKey: ZLFNNLOCQGVBHC-OGPFHUEYSA-N
• XLogP: 18.37
• TPSA: 419.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 37
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.79
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?

The IUPAC name of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate (CID 162151148) is 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate.

What is the SMILES notation for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?

The canonical SMILES for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCOC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nn2cnnc2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)on1.

What is the InChIKey of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?

The InChIKey is ZLFNNLOCQGVBHC-OGPFHUEYSA-N. The full InChI is InChI=1S/C27H35ClN6O3S.C26H33Cl2N5O4S.C26H35Cl2N5O4S.C24H30Cl2N8O2S/c1-17-13-23(28)30-20(4)25(17)26(35)29-9-5-19(3)33-10-6-22(7-11-33)34(15-21-8-12-38-16-21)27(36)31-24-14-18(2)32-37-24;1-16-13-21(27)31-23(28)22(16)24(34)29-8-3-17(2)32-9-4-19(5-10-32)33(14-18-7-12-38-15-18)26(36)30-20-6-11-37-25(20)35;1-16-13-21(27)31-23(28)22(16)24(34)29-9-5-17(2)32-10-6-20(7-11-32)33(14-19-8-12-38-15-19)26(36)30-18(3)25(35)37-4;1-16-11-20(25)30-22(26)21(16)23(35)27-7-3-17(2)32-8-4-19(5-9-32)34(12-18-6-10-37-13-18)24(36)31-33-14-28-29-15-33/h8,12-14,16,19,22H,5-7,9-11,15H2,1-4H3,(H,29,35)(H,31,36);7,12-13,15,17,19-20H,3-6,8-11,14H2,1-2H3,(H,29,34)(H,30,36);8,12-13,15,17-18,20H,5-7,9-11,14H2,1-4H3,(H,29,34)(H,30,36);6,10-11,13-15,17,19H,3-5,7-9,12H2,1-2H3,(H,27,35)(H,31,36)/t19-;17-,20?;17-,18+;17-/m1111/s1.

What are the key properties of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?

6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate has a molecular weight of 2291.79 g/mol, XLogP of 18.37, 37 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 162151148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).