N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide

C112H148Cl4FN17O8S2 — CID 159172880

About N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide

N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide (PubChem CID 159172880) has the molecular formula C112H148Cl4FN17O8S2 and a molecular weight of 2085.47 g/mol. Its IUPAC name is N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide
• PubChem CID: 159172880
• Molecular Formula: C112H148Cl4FN17O8S2
• Molecular Weight: 2085.47 g/mol
• Exact Mass: 2081.99
• IUPAC Name: N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide
• SMILES: Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(C(C)C)CC2c2cccc(Cl)c2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)OC[C@H]2c2ccccc2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(Cl)c2)CC1.Cc1cccc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1
• InChI: InChI=1S/C30H41ClFN5O2.C29H39Cl2N5OS.C27H35N3O3.C26H33ClN4O2S/c1-19-16-26(32)34-21(3)27(19)28(38)33-13-10-20(2)35-14-11-24(12-15-35)37-25(22-8-7-9-23(31)17-22)18-36(29(37)39)30(4,5)6;1-18(2)35-17-25(22-7-6-8-23(30)16-22)36(29(35)38)24-10-13-34(14-11-24)20(4)9-12-32-28(37)27-19(3)15-26(31)33-21(27)5;1-19-8-7-9-20(2)25(19)26(31)28-15-12-21(3)29-16-13-23(14-17-29)30-24(18-33-27(30)32)22-10-5-4-6-11-22;1-17-15-23(27)29-19(3)24(17)25(32)28-12-9-18(2)30-13-10-21(11-14-30)31-22(16-33-26(31)34)20-7-5-4-6-8-20/h7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);6-8,15-16,18,20,24-25H,9-14,17H2,1-5H3,(H,32,37);4-11,21,23-24H,12-18H2,1-3H3,(H,28,31);4-8,15,18,21-22H,9-14,16H2,1-3H3,(H,28,32)/t;;21?,24-;18?,22-/m..00/s1
• InChIKey: KLXIIBIXOYYWDR-AWJOBBRZSA-N
• XLogP: 20.92
• TPSA: 240.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 29
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2085.47
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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 N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide?

The IUPAC name of N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide (CID 159172880) is N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide.

What is the SMILES notation for N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide?

The canonical SMILES for N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(C(C)C)CC2c2cccc(Cl)c2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)OC[C@H]2c2ccccc2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)CC2c2cccc(Cl)c2)CC1.Cc1cccc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1.

What is the InChIKey of N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide?

The InChIKey is KLXIIBIXOYYWDR-AWJOBBRZSA-N. The full InChI is InChI=1S/C30H41ClFN5O2.C29H39Cl2N5OS.C27H35N3O3.C26H33ClN4O2S/c1-19-16-26(32)34-21(3)27(19)28(38)33-13-10-20(2)35-14-11-24(12-15-35)37-25(22-8-7-9-23(31)17-22)18-36(29(37)39)30(4,5)6;1-18(2)35-17-25(22-7-6-8-23(30)16-22)36(29(35)38)24-10-13-34(14-11-24)20(4)9-12-32-28(37)27-19(3)15-26(31)33-21(27)5;1-19-8-7-9-20(2)25(19)26(31)28-15-12-21(3)29-16-13-23(14-17-29)30-24(18-33-27(30)32)22-10-5-4-6-11-22;1-17-15-23(27)29-19(3)24(17)25(32)28-12-9-18(2)30-13-10-21(11-14-30)31-22(16-33-26(31)34)20-7-5-4-6-8-20/h7-9,16-17,20,24-25H,10-15,18H2,1-6H3,(H,33,38);6-8,15-16,18,20,24-25H,9-14,17H2,1-5H3,(H,32,37);4-11,21,23-24H,12-18H2,1-3H3,(H,28,31);4-8,15,18,21-22H,9-14,16H2,1-3H3,(H,28,32)/t;;21?,24-;18?,22-/m..00/s1.

What are the key properties of N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide?

N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide has a molecular weight of 2085.47 g/mol, XLogP of 20.92, 29 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[3-tert-butyl-5-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[5-(3-chlorophenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dimethyl-N-[3-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 159172880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).