N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine

C104H128Cl3FN20O6 — CID 157447410

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine (PubChem CID 157447410) has the molecular formula C104H128Cl3FN20O6 and a molecular weight of 1879.66 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine.

Molecular Properties

• Compound Name: N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine
• PubChem CID: 157447410
• Molecular Formula: C104H128Cl3FN20O6
• Molecular Weight: 1879.66 g/mol
• Exact Mass: 1876.94
• IUPAC Name: N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine
• SMILES: CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3ccc(-c4ccccc4)cn3)C2)N=C1N.CN1OC(C)(c2cccc(-c3ccc(F)c(Cl)c3)c2)N=C1N.CN1OC(C)(c2cccc(-c3ccccc3Cl)c2)N=C1N.CN1OCC(C)(c2cccc(-c3cccnc3)c2)N=C1N.Cc1cc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cc(Cl)n1
• InChI: InChI=1S/C30H41N5O.C26H38ClN5O2.C16H15ClFN3O.C16H16ClN3O.C16H18N4O/c1-35-28(36)30(34-29(35)31,18-17-22-9-4-2-5-10-22)20-23-11-8-14-26(19-23)33-27-16-15-25(21-32-27)24-12-6-3-7-13-24;1-17-13-20(15-22(27)29-17)23(33)30-21-10-6-9-19(14-21)16-26(24(34)32(2)25(28)31-26)12-11-18-7-4-3-5-8-18;1-16(20-15(19)21(2)22-16)12-5-3-4-10(8-12)11-6-7-14(18)13(17)9-11;1-16(19-15(18)20(2)21-16)12-7-5-6-11(10-12)13-8-3-4-9-14(13)17;1-16(11-21-20(2)15(17)19-16)14-7-3-5-12(9-14)13-6-4-8-18-10-13/h3,6-7,12-13,15-16,21-23,26H,2,4-5,8-11,14,17-20H2,1H3,(H2,31,34)(H,32,33);13,15,18-19,21H,3-12,14,16H2,1-2H3,(H2,28,31)(H,30,33);3-9H,1-2H3,(H2,19,20);3-10H,1-2H3,(H2,18,19);3-10H,11H2,1-2H3,(H2,17,19)/t23-,26+,30+;19-,21+,26+;;;/m00.../s1
• InChIKey: BSJUBQLJMXRNLG-WLDFEZPUSA-N
• XLogP: 19.64
• TPSA: 349.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1879.66
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine?

The IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine (CID 157447410) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine.

What is the SMILES notation for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine?

The canonical SMILES for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3ccc(-c4ccccc4)cn3)C2)N=C1N.CN1OC(C)(c2cccc(-c3ccc(F)c(Cl)c3)c2)N=C1N.CN1OC(C)(c2cccc(-c3ccccc3Cl)c2)N=C1N.CN1OCC(C)(c2cccc(-c3cccnc3)c2)N=C1N.Cc1cc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cc(Cl)n1.

What is the InChIKey of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine?

The InChIKey is BSJUBQLJMXRNLG-WLDFEZPUSA-N. The full InChI is InChI=1S/C30H41N5O.C26H38ClN5O2.C16H15ClFN3O.C16H16ClN3O.C16H18N4O/c1-35-28(36)30(34-29(35)31,18-17-22-9-4-2-5-10-22)20-23-11-8-14-26(19-23)33-27-16-15-25(21-32-27)24-12-6-3-7-13-24;1-17-13-20(15-22(27)29-17)23(33)30-21-10-6-9-19(14-21)16-26(24(34)32(2)25(28)31-26)12-11-18-7-4-3-5-8-18;1-16(20-15(19)21(2)22-16)12-5-3-4-10(8-12)11-6-7-14(18)13(17)9-11;1-16(19-15(18)20(2)21-16)12-7-5-6-11(10-12)13-8-3-4-9-14(13)17;1-16(11-21-20(2)15(17)19-16)14-7-3-5-12(9-14)13-6-4-8-18-10-13/h3,6-7,12-13,15-16,21-23,26H,2,4-5,8-11,14,17-20H2,1H3,(H2,31,34)(H,32,33);13,15,18-19,21H,3-12,14,16H2,1-2H3,(H2,28,31)(H,30,33);3-9H,1-2H3,(H2,19,20);3-10H,1-2H3,(H2,18,19);3-10H,11H2,1-2H3,(H2,17,19)/t23-,26+,30+;19-,21+,26+;;;/m00.../s1.

What are the key properties of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine?

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine has a molecular weight of 1879.66 g/mol, XLogP of 19.64, 21 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(5-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]imidazol-4-one;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine is sourced from PubChem (CID 157447410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).