N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide

C132H167Cl3FN25O12 — CID 157124862

About N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide

N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide (PubChem CID 157124862) has the molecular formula C132H167Cl3FN25O12 and a molecular weight of 2421.31 g/mol. Its IUPAC name is N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide
• PubChem CID: 157124862
• Molecular Formula: C132H167Cl3FN25O12
• Molecular Weight: 2421.31 g/mol
• Exact Mass: 2418.23
• IUPAC Name: N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide
• SMILES: CC[C@H](CC(=O)CNC(=O)c1cccc(NC2=NCCN2)c1)c1cc(Cl)cc(C(C)(C)C)c1.CC[C@H](CC(=O)CNC(=O)c1cncc(NC2=NCC(F)CN2)c1)c1cc(Cl)cc(C(C)(C)C)c1.CC[C@H](CC(=O)CNC(=O)c1cncc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(C(C)(C)C)c1.[C-]#[N+]c1cc([C@H](CC)CC(=O)CNC(=O)c2cccc(NC3=NCCN3)c2)cc(C(C)(C)C)c1.[C-]#[N+]c1cc([C@H](CC)CC(=O)CNC(=O)c2cncc(NC3=NCC(O)CN3)c2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C27H34N6O3.C27H33N5O2.C26H33ClFN5O2.C26H34ClN5O3.C26H33ClN4O2/c1-6-17(18-7-20(27(2,3)4)11-21(8-18)28-5)10-23(34)14-30-25(36)19-9-22(13-29-12-19)33-26-31-15-24(35)16-32-26;1-6-18(20-12-21(27(2,3)4)16-23(14-20)28-5)15-24(33)17-31-25(34)19-8-7-9-22(13-19)32-26-29-10-11-30-26;1-5-16(17-6-19(26(2,3)4)10-20(27)7-17)9-23(34)15-30-24(35)18-8-22(14-29-11-18)33-25-31-12-21(28)13-32-25;1-5-16(17-6-19(26(2,3)4)10-20(27)7-17)9-22(33)13-29-24(35)18-8-21(12-28-11-18)32-25-30-14-23(34)15-31-25;1-5-17(19-11-20(26(2,3)4)15-21(27)12-19)14-23(32)16-30-24(33)18-7-6-8-22(13-18)31-25-28-9-10-29-25/h7-9,11-13,17,24,35H,6,10,14-16H2,1-4H3,(H,30,36)(H2,31,32,33);7-9,12-14,16,18H,6,10-11,15,17H2,1-4H3,(H,31,34)(H2,29,30,32);6-8,10-11,14,16,21H,5,9,12-13,15H2,1-4H3,(H,30,35)(H2,31,32,33);6-8,10-12,16,23,34H,5,9,13-15H2,1-4H3,(H,29,35)(H2,30,31,32);6-8,11-13,15,17H,5,9-10,14,16H2,1-4H3,(H,30,33)(H2,28,29,31)/t17-;18-;2*16-;17-/m11111/s1
• InChIKey: AIJTVVZSKSLQSJ-CBRDKTCTSA-N
• XLogP: 21.50
• TPSA: 500.80 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2421.31
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide?

The IUPAC name of N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide (CID 157124862) is N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide.

What is the SMILES notation for N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide?

The canonical SMILES for N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide is CC[C@H](CC(=O)CNC(=O)c1cccc(NC2=NCCN2)c1)c1cc(Cl)cc(C(C)(C)C)c1.CC[C@H](CC(=O)CNC(=O)c1cncc(NC2=NCC(F)CN2)c1)c1cc(Cl)cc(C(C)(C)C)c1.CC[C@H](CC(=O)CNC(=O)c1cncc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(C(C)(C)C)c1.[C-]#[N+]c1cc([C@H](CC)CC(=O)CNC(=O)c2cccc(NC3=NCCN3)c2)cc(C(C)(C)C)c1.[C-]#[N+]c1cc([C@H](CC)CC(=O)CNC(=O)c2cncc(NC3=NCC(O)CN3)c2)cc(C(C)(C)C)c1.

What is the InChIKey of N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide?

The InChIKey is AIJTVVZSKSLQSJ-CBRDKTCTSA-N. The full InChI is InChI=1S/C27H34N6O3.C27H33N5O2.C26H33ClFN5O2.C26H34ClN5O3.C26H33ClN4O2/c1-6-17(18-7-20(27(2,3)4)11-21(8-18)28-5)10-23(34)14-30-25(36)19-9-22(13-29-12-19)33-26-31-15-24(35)16-32-26;1-6-18(20-12-21(27(2,3)4)16-23(14-20)28-5)15-24(33)17-31-25(34)19-8-7-9-22(13-19)32-26-29-10-11-30-26;1-5-16(17-6-19(26(2,3)4)10-20(27)7-17)9-23(34)15-30-24(35)18-8-22(14-29-11-18)33-25-31-12-21(28)13-32-25;1-5-16(17-6-19(26(2,3)4)10-20(27)7-17)9-22(33)13-29-24(35)18-8-21(12-28-11-18)32-25-30-14-23(34)15-31-25;1-5-17(19-11-20(26(2,3)4)15-21(27)12-19)14-23(32)16-30-24(33)18-7-6-8-22(13-18)31-25-28-9-10-29-25/h7-9,11-13,17,24,35H,6,10,14-16H2,1-4H3,(H,30,36)(H2,31,32,33);7-9,12-14,16,18H,6,10-11,15,17H2,1-4H3,(H,31,34)(H2,29,30,32);6-8,10-11,14,16,21H,5,9,12-13,15H2,1-4H3,(H,30,35)(H2,31,32,33);6-8,10-12,16,23,34H,5,9,13-15H2,1-4H3,(H,29,35)(H2,30,31,32);6-8,11-13,15,17H,5,9-10,14,16H2,1-4H3,(H,30,33)(H2,28,29,31)/t17-;18-;2*16-;17-/m11111/s1.

What are the key properties of N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide?

N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 2421.31 g/mol, XLogP of 21.50, 40 rotatable bonds, 17 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-3-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide;N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 157124862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).