N-[(3R)-3-[4-[(2-amino-2-oxoethyl)carbamoyl-(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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

C102H144Cl6N22O11S4 — CID 159075438

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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide (PubChem CID 159075438) has the molecular formula C102H144Cl6N22O11S4 and a molecular weight of 2195.40 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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
• PubChem CID: 159075438
• Molecular Formula: C102H144Cl6N22O11S4
• Molecular Weight: 2195.40 g/mol
• Exact Mass: 2190.84
• 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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;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.CCCCN(C(=O)NCc1ccc(C)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
• InChI: InChI=1S/C28H40ClN5O4S.C28H42ClN5O2S.C24H32Cl2N6O3S.C22H30Cl2N6O2S/c1-5-6-13-34(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;1-6-7-14-34(28(36)31-18-24-9-8-21(4)37-24)23-11-15-33(16-12-23)20(3)10-13-30-27(35)26-19(2)17-25(29)32-22(26)5;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/h7-8,16,19,21H,5-6,9-15,17H2,1-4H3,(H,30,35)(H,31,38)(H,36,37);8-9,17,20,23H,6-7,10-16,18H2,1-5H3,(H,30,35)(H,31,36);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)/t;;16-;15-/m..11/s1
• InChIKey: KAENTXGSCUCQJA-UMXJZEFUSA-N
• XLogP: 18.05
• TPSA: 416.69 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 41
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.40
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide (CID 159075438) 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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;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.CCCCN(C(=O)NCc1ccc(C)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.

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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[hydrazinecarbonyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

The InChIKey is KAENTXGSCUCQJA-UMXJZEFUSA-N. The full InChI is InChI=1S/C28H40ClN5O4S.C28H42ClN5O2S.C24H32Cl2N6O3S.C22H30Cl2N6O2S/c1-5-6-13-34(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;1-6-7-14-34(28(36)31-18-24-9-8-21(4)37-24)23-11-15-33(16-12-23)20(3)10-13-30-27(35)26-19(2)17-25(29)32-22(26)5;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/h7-8,16,19,21H,5-6,9-15,17H2,1-4H3,(H,30,35)(H,31,38)(H,36,37);8-9,17,20,23H,6-7,10-16,18H2,1-5H3,(H,30,35)(H,31,36);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)/t;;16-;15-/m..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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;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 2195.40 g/mol, XLogP of 18.05, 41 rotatable bonds, 11 hydrogen bond donors, and 23 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;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;N-[3-[4-[butyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;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 159075438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).