N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

C109H139Cl6N21O13S4 — CID 161034498

About N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide (PubChem CID 161034498) has the molecular formula C109H139Cl6N21O13S4 and a molecular weight of 2292.43 g/mol. Its IUPAC name is N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
• PubChem CID: 161034498
• Molecular Formula: C109H139Cl6N21O13S4
• Molecular Weight: 2292.43 g/mol
• Exact Mass: 2287.79
• IUPAC Name: N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
• SMILES: Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccc(C(=O)O)cc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2cccc(C(=O)O)c2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN(C)C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CNC(N)=O)CC1
• InChI: InChI=1S/2C30H36ClN5O4S.C25H35Cl2N5O2S.C24H32Cl2N6O3S/c1-19-16-26(31)33-21(3)27(19)28(37)32-12-8-20(2)35-13-9-25(10-14-35)36(17-22-11-15-41-18-22)30(40)34-24-6-4-23(5-7-24)29(38)39;1-19-15-26(31)33-21(3)27(19)28(37)32-11-7-20(2)35-12-8-25(9-13-35)36(17-22-10-14-41-18-22)30(40)34-24-6-4-5-23(16-24)29(38)39;1-17-13-21(26)29-24(27)23(17)25(34)28-9-5-18(2)31-10-6-20(7-11-31)32(22(33)15-30(3)4)14-19-8-12-35-16-19;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)20(33)12-29-24(27)35/h4-7,11,15-16,18,20,25H,8-10,12-14,17H2,1-3H3,(H,32,37)(H,34,40)(H,38,39);4-6,10,14-16,18,20,25H,7-9,11-13,17H2,1-3H3,(H,32,37)(H,34,40)(H,38,39);8,12-13,16,18,20H,5-7,9-11,14-15H2,1-4H3,(H,28,34);6,10-11,14,16,18H,3-5,7-9,12-13H2,1-2H3,(H,28,34)(H3,27,29,35)/t2*20-;18-;16-/m1111/s1
• InChIKey: UABNLBPDGBWYLC-ZRVBUJQISA-N
• XLogP: 19.39
• TPSA: 419.18 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2292.43
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

The IUPAC name of N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide (CID 161034498) is N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

The canonical SMILES for N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccc(C(=O)O)cc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2cccc(C(=O)O)c2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN(C)C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CNC(N)=O)CC1.

What is the InChIKey of N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

The InChIKey is UABNLBPDGBWYLC-ZRVBUJQISA-N. The full InChI is InChI=1S/2C30H36ClN5O4S.C25H35Cl2N5O2S.C24H32Cl2N6O3S/c1-19-16-26(31)33-21(3)27(19)28(37)32-12-8-20(2)35-13-9-25(10-14-35)36(17-22-11-15-41-18-22)30(40)34-24-6-4-23(5-7-24)29(38)39;1-19-15-26(31)33-21(3)27(19)28(37)32-11-7-20(2)35-12-8-25(9-13-35)36(17-22-10-14-41-18-22)30(40)34-24-6-4-5-23(16-24)29(38)39;1-17-13-21(26)29-24(27)23(17)25(34)28-9-5-18(2)31-10-6-20(7-11-31)32(22(33)15-30(3)4)14-19-8-12-35-16-19;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)20(33)12-29-24(27)35/h4-7,11,15-16,18,20,25H,8-10,12-14,17H2,1-3H3,(H,32,37)(H,34,40)(H,38,39);4-6,10,14-16,18,20,25H,7-9,11-13,17H2,1-3H3,(H,32,37)(H,34,40)(H,38,39);8,12-13,16,18,20H,5-7,9-11,14-15H2,1-4H3,(H,28,34);6,10-11,14,16,18H,3-5,7-9,12-13H2,1-2H3,(H,28,34)(H3,27,29,35)/t2*20-;18-;16-/m1111/s1.

What are the key properties of N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide?

N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide has a molecular weight of 2292.43 g/mol, XLogP of 19.39, 40 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 161034498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).