N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

C103H135Cl7N24O11S4 — CID 161022619

About N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide (PubChem CID 161022619) has the molecular formula C103H135Cl7N24O11S4 and a molecular weight of 2261.81 g/mol. Its IUPAC name is N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
• PubChem CID: 161022619
• Molecular Formula: C103H135Cl7N24O11S4
• Molecular Weight: 2261.81 g/mol
• Exact Mass: 2256.74
• IUPAC Name: N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
• SMILES: CCCCN(C(=O)NCc1ccc(C(=O)O)s1)C1CCN(C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC(N)=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/C29H33Cl2N7O2S.C28H40ClN5O4S.C24H32Cl2N6O3S.C22H30Cl2N6O2S/c1-18-15-24(30)35-26(31)25(18)27(39)32-11-7-19(2)37-12-8-21(9-13-37)38(16-20-10-14-41-17-20)29(40)36-28-33-22-5-3-4-6-23(22)34-28;1-5-6-13-34(28(38)31-17-22-7-8-23(39-22)27(36)37)21-10-14-33(15-11-21)19(3)9-12-30-26(35)25-18(2)16-24(29)32-20(25)4;1-15-11-19(25)30-22(26)21(15)23(34)28-7-3-16(2)31-8-4-18(5-9-31)32(13-17-6-10-36-14-17)24(35)29-12-20(27)33;1-14-11-18(23)27-20(24)19(14)21(31)26-7-3-15(2)29-8-4-17(5-9-29)30(22(32)28-25)12-16-6-10-33-13-16/h3-6,10,14-15,17,19,21H,7-9,11-13,16H2,1-2H3,(H,32,39)(H2,33,34,36,40);7-8,16,19,21H,5-6,9-15,17H2,1-4H3,(H,30,35)(H,31,38)(H,36,37);6,10-11,14,16,18H,3-5,7-9,12-13H2,1-2H3,(H2,27,33)(H,28,34)(H,29,35);6,10-11,13,15,17H,3-5,7-9,12,25H2,1-2H3,(H,26,31)(H,28,32)/t19-;;16-;15-/m1.11/s1
• InChIKey: TYOMRPISNHQIHS-ZIOATWMESA-N
• XLogP: 18.68
• TPSA: 445.37 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2261.81
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

The IUPAC name of N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide (CID 161022619) is N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

The canonical SMILES for N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide is CCCCN(C(=O)NCc1ccc(C(=O)O)s1)C1CCN(C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC(N)=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2nc3ccccc3[nH]2)CC1.

What is the InChIKey of N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

The InChIKey is TYOMRPISNHQIHS-ZIOATWMESA-N. The full InChI is InChI=1S/C29H33Cl2N7O2S.C28H40ClN5O4S.C24H32Cl2N6O3S.C22H30Cl2N6O2S/c1-18-15-24(30)35-26(31)25(18)27(39)32-11-7-19(2)37-12-8-21(9-13-37)38(16-20-10-14-41-17-20)29(40)36-28-33-22-5-3-4-6-23(22)34-28;1-5-6-13-34(28(38)31-17-22-7-8-23(39-22)27(36)37)21-10-14-33(15-11-21)19(3)9-12-30-26(35)25-18(2)16-24(29)32-20(25)4;1-15-11-19(25)30-22(26)21(15)23(34)28-7-3-16(2)31-8-4-18(5-9-31)32(13-17-6-10-36-14-17)24(35)29-12-20(27)33;1-14-11-18(23)27-20(24)19(14)21(31)26-7-3-15(2)29-8-4-17(5-9-29)30(22(32)28-25)12-16-6-10-33-13-16/h3-6,10,14-15,17,19,21H,7-9,11-13,16H2,1-2H3,(H,32,39)(H2,33,34,36,40);7-8,16,19,21H,5-6,9-15,17H2,1-4H3,(H,30,35)(H,31,38)(H,36,37);6,10-11,14,16,18H,3-5,7-9,12-13H2,1-2H3,(H2,27,33)(H,28,34)(H,29,35);6,10-11,13,15,17H,3-5,7-9,12,25H2,1-2H3,(H,26,31)(H,28,32)/t19-;;16-;15-/m1.11/s1.

What are the key properties of N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide has a molecular weight of 2261.81 g/mol, XLogP of 18.68, 39 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;N-[(3R)-3-[4-[1H-benzimidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;5-[[[butyl-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]carbamoyl]amino]methyl]thiophene-2-carboxylic acid;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 161022619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).