bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid

C94H106Cl4F12N16O13 — CID 164960296

About bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid

bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (PubChem CID 164960296) has the molecular formula C94H106Cl4F12N16O13 and a molecular weight of 2037.77 g/mol. Its IUPAC name is bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid.

Molecular Properties

• Compound Name: bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• PubChem CID: 164960296
• Molecular Formula: C94H106Cl4F12N16O13
• Molecular Weight: 2037.77 g/mol
• Exact Mass: 2034.67
• IUPAC Name: bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• SMILES: C[C@@H]1CC[C@@H](c2cc(Cl)cc(C(F)(F)F)c2)NC1.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2cc(Cl)cc(C(F)(F)F)c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2cc(Cl)cc(C(F)(F)F)c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2cc(Cl)cc(C(F)(F)F)c2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C26H30ClF3N4O4.2C21H22ClF3N4O2.C13H15ClF3N.C13H17N3O5/c1-14-6-7-20(16-9-17(26(28,29)30)11-18(27)10-16)34(13-14)23(36)22(35)32-19-8-15(2)21(31-12-19)33-24(37)38-25(3,4)5;2*1-11-3-4-17(13-6-14(21(23,24)25)8-15(22)7-13)29(10-11)20(31)19(30)28-16-5-12(2)18(26)27-9-16;1-8-2-3-12(18-7-8)9-4-10(13(15,16)17)6-11(14)5-9;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4/h8-12,14,20H,6-7,13H2,1-5H3,(H,32,35)(H,31,33,37);2*5-9,11,17H,3-4,10H2,1-2H3,(H2,26,27)(H,28,30);4-6,8,12,18H,2-3,7H2,1H3;5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20)/t14-,20+;2*11-,17+;8-,12+;/m1111./s1
• InChIKey: BTBGPSDAKKKABY-UUSATQJESA-N
• XLogP: 21.69
• TPSA: 406.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2037.77
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The IUPAC name of bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (CID 164960296) is bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid.

What is the SMILES notation for bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The canonical SMILES for bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is C[C@@H]1CC[C@@H](c2cc(Cl)cc(C(F)(F)F)c2)NC1.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2cc(Cl)cc(C(F)(F)F)c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2cc(Cl)cc(C(F)(F)F)c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2cc(Cl)cc(C(F)(F)F)c2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C.

What is the InChIKey of bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The InChIKey is BTBGPSDAKKKABY-UUSATQJESA-N. The full InChI is InChI=1S/C26H30ClF3N4O4.2C21H22ClF3N4O2.C13H15ClF3N.C13H17N3O5/c1-14-6-7-20(16-9-17(26(28,29)30)11-18(27)10-16)34(13-14)23(36)22(35)32-19-8-15(2)21(31-12-19)33-24(37)38-25(3,4)5;2*1-11-3-4-17(13-6-14(21(23,24)25)8-15(22)7-13)29(10-11)20(31)19(30)28-16-5-12(2)18(26)27-9-16;1-8-2-3-12(18-7-8)9-4-10(13(15,16)17)6-11(14)5-9;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4/h8-12,14,20H,6-7,13H2,1-5H3,(H,32,35)(H,31,33,37);2*5-9,11,17H,3-4,10H2,1-2H3,(H2,26,27)(H,28,30);4-6,8,12,18H,2-3,7H2,1H3;5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20)/t14-,20+;2*11-,17+;8-,12+;/m1111./s1.

What are the key properties of bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid has a molecular weight of 2037.77 g/mol, XLogP of 21.69, 10 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 164960296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).