6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid

C127H161Cl4N21O13S2 — CID 158414949

About 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid

6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 158414949) has the molecular formula C127H161Cl4N21O13S2 and a molecular weight of 2395.76 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid
• PubChem CID: 158414949
• Molecular Formula: C127H161Cl4N21O13S2
• Molecular Weight: 2395.76 g/mol
• Exact Mass: 2392.08
• IUPAC Name: 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid
• SMILES: Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCCO3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)cn3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)s3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(CC3CCCO3)C[C@H]2c2ccccc2)CC1
• InChI: InChI=1S/C33H39ClN6O4.C32H38ClN5O4S.C31H42ClN5O3.C31H42ClN5O2S/c1-21-17-29(34)37-23(3)30(21)31(41)35-14-11-22(2)38-15-12-27(13-16-38)40-28(24-7-5-4-6-8-24)20-39(33(40)44)19-26-10-9-25(18-36-26)32(42)43;1-20-17-28(33)35-22(3)29(20)30(39)34-14-11-21(2)36-15-12-24(13-16-36)38-26(23-7-5-4-6-8-23)19-37(32(38)42)18-25-9-10-27(43-25)31(40)41;1-21-18-28(32)34-23(3)29(21)30(38)33-14-11-22(2)35-15-12-25(13-16-35)37-27(24-8-5-4-6-9-24)20-36(31(37)39)19-26-10-7-17-40-26;1-21-18-28(32)34-23(3)29(21)30(38)33-14-11-22(2)35-15-12-25(13-16-35)37-27(24-8-5-4-6-9-24)20-36(31(37)40)19-26-10-7-17-39-26/h4-10,17-18,22,27-28H,11-16,19-20H2,1-3H3,(H,35,41)(H,42,43);4-10,17,21,24,26H,11-16,18-19H2,1-3H3,(H,34,39)(H,40,41);2*4-6,8-9,18,22,25-27H,7,10-17,19-20H2,1-3H3,(H,33,38)/t22?,28-;21?,26-;2*22?,26?,27-/m0000/s1
• InChIKey: GZTSPVKMBDMEFG-YMNDPQBRSA-N
• XLogP: 20.99
• TPSA: 364.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 38
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.76
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid?

The IUPAC name of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid (CID 158414949) is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid.

What is the SMILES notation for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid?

The canonical SMILES for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCCO3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)cn3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)s3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(CC3CCCO3)C[C@H]2c2ccccc2)CC1.

What is the InChIKey of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid?

The InChIKey is GZTSPVKMBDMEFG-YMNDPQBRSA-N. The full InChI is InChI=1S/C33H39ClN6O4.C32H38ClN5O4S.C31H42ClN5O3.C31H42ClN5O2S/c1-21-17-29(34)37-23(3)30(21)31(41)35-14-11-22(2)38-15-12-27(13-16-38)40-28(24-7-5-4-6-8-24)20-39(33(40)44)19-26-10-9-25(18-36-26)32(42)43;1-20-17-28(33)35-22(3)29(20)30(39)34-14-11-21(2)36-15-12-24(13-16-36)38-26(23-7-5-4-6-8-23)19-37(32(38)42)18-25-9-10-27(43-25)31(40)41;1-21-18-28(32)34-23(3)29(21)30(38)33-14-11-22(2)35-15-12-25(13-16-35)37-27(24-8-5-4-6-9-24)20-36(31(37)39)19-26-10-7-17-40-26;1-21-18-28(32)34-23(3)29(21)30(38)33-14-11-22(2)35-15-12-25(13-16-35)37-27(24-8-5-4-6-9-24)20-36(31(37)40)19-26-10-7-17-39-26/h4-10,17-18,22,27-28H,11-16,19-20H2,1-3H3,(H,35,41)(H,42,43);4-10,17,21,24,26H,11-16,18-19H2,1-3H3,(H,34,39)(H,40,41);2*4-6,8-9,18,22,25-27H,7,10-17,19-20H2,1-3H3,(H,33,38)/t22?,28-;21?,26-;2*22?,26?,27-/m0000/s1.

What are the key properties of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid?

6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 2395.76 g/mol, XLogP of 20.99, 38 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 158414949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).