bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid

C90H98F16N16O13 — CID 164987877

About bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-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,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (PubChem CID 164987877) has the molecular formula C90H98F16N16O13 and a molecular weight of 1915.84 g/mol. Its IUPAC name is bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-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,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• PubChem CID: 164987877
• Molecular Formula: C90H98F16N16O13
• Molecular Weight: 1915.84 g/mol
• Exact Mass: 1914.72
• IUPAC Name: bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• SMILES: C[C@H]1CN[C@H](c2ccc(F)c(F)c2)CC1(F)F.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc(F)c(F)c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc(F)c(F)c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc(F)c(F)c2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C25H28F4N4O4.2C20H20F4N4O2.C13H17N3O5.C12H13F4N/c1-13-8-16(11-30-20(13)32-23(36)37-24(3,4)5)31-21(34)22(35)33-12-14(2)25(28,29)10-19(33)15-6-7-17(26)18(27)9-15;2*1-10-5-13(8-26-17(10)25)27-18(29)19(30)28-9-11(2)20(23,24)7-16(28)12-3-4-14(21)15(22)6-12;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4;1-7-6-17-11(5-12(7,15)16)8-2-3-9(13)10(14)4-8/h6-9,11,14,19H,10,12H2,1-5H3,(H,31,34)(H,30,32,36);2*3-6,8,11,16H,7,9H2,1-2H3,(H2,25,26)(H,27,29);5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20);2-4,7,11,17H,5-6H2,1H3/t14-,19-;2*11-,16-;;7-,11-/m000.0/s1
• InChIKey: GKPIPZKFJYAHRF-MXWUUPNZSA-N
• XLogP: 17.10
• TPSA: 406.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1915.84
LogP ≤ 5	17.10
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,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-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,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (CID 164987877) is bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-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,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-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,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is C[C@H]1CN[C@H](c2ccc(F)c(F)c2)CC1(F)F.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc(F)c(F)c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc(F)c(F)c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc(F)c(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,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The InChIKey is GKPIPZKFJYAHRF-MXWUUPNZSA-N. The full InChI is InChI=1S/C25H28F4N4O4.2C20H20F4N4O2.C13H17N3O5.C12H13F4N/c1-13-8-16(11-30-20(13)32-23(36)37-24(3,4)5)31-21(34)22(35)33-12-14(2)25(28,29)10-19(33)15-6-7-17(26)18(27)9-15;2*1-10-5-13(8-26-17(10)25)27-18(29)19(30)28-9-11(2)20(23,24)7-16(28)12-3-4-14(21)15(22)6-12;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4;1-7-6-17-11(5-12(7,15)16)8-2-3-9(13)10(14)4-8/h6-9,11,14,19H,10,12H2,1-5H3,(H,31,34)(H,30,32,36);2*3-6,8,11,16H,7,9H2,1-2H3,(H2,25,26)(H,27,29);5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20);2-4,7,11,17H,5-6H2,1H3/t14-,19-;2*11-,16-;;7-,11-/m000.0/s1.

What are the key properties of bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-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,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid has a molecular weight of 1915.84 g/mol, XLogP of 17.10, 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,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);tert-butyl N-[5-[[2-[(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-2-(3,4-difluorophenyl)-4,4-difluoro-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 164987877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).