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

C₁₄₀H₁₆₆F₁₂N₂₄O₂₁ — CID 165061596

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (PubChem CID 165061596) has the molecular formula C₁₄₀H₁₆₆F₁₂N₂₄O₂₁ and a molecular weight of 2748.99 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• PubChem CID: 165061596
• Molecular Formula: C₁₄₀H₁₆₆F₁₂N₂₄O₂₁
• Molecular Weight: 2748.99 g/mol
• Exact Mass: 2747.25
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• SMILES: C[C@H]1CN[C@H](c2ccccc2)CC1(F)F.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@H]2c2ccccc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@H]2c2ccccc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccccc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccccc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccccc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C
• InChI: InChI=1S/3C25H30F2N4O4.2C20H22F2N4O2.C13H17N3O5.C12H15F2N/c3*1-15-11-18(13-28-20(15)30-23(34)35-24(3,4)5)29-21(32)22(33)31-14-16(2)25(26,27)12-19(31)17-9-7-6-8-10-17;2*1-12-8-15(10-24-17(12)23)25-18(27)19(28)26-11-13(2)20(21,22)9-16(26)14-6-4-3-5-7-14;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4;1-9-8-15-11(7-12(9,13)14)10-5-3-2-4-6-10/h3*6-11,13,16,19H,12,14H2,1-5H3,(H,29,32)(H,28,30,34);2*3-8,10,13,16H,9,11H2,1-2H3,(H2,23,24)(H,25,27);5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20);2-6,9,11,15H,7-8H2,1H3/t3*16-,19-;2*13-,16-;;9-,11-/m10010.0/s1
• InChIKey: RHLYXYJIFUAUQH-TVZYQUAJSA-N
• XLogP: 25.83
• TPSA: 608.18 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2748.99
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (CID 165061596) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid.

What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is C[C@H]1CN[C@H](c2ccccc2)CC1(F)F.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@H]2c2ccccc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@H]2c2ccccc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccccc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccccc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccccc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C.

What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The InChIKey is RHLYXYJIFUAUQH-TVZYQUAJSA-N. The full InChI is InChI=1S/3C25H30F2N4O4.2C20H22F2N4O2.C13H17N3O5.C12H15F2N/c3*1-15-11-18(13-28-20(15)30-23(34)35-24(3,4)5)29-21(32)22(33)31-14-16(2)25(26,27)12-19(31)17-9-7-6-8-10-17;2*1-12-8-15(10-24-17(12)23)25-18(27)19(28)26-11-13(2)20(21,22)9-16(26)14-6-4-3-5-7-14;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4;1-9-8-15-11(7-12(9,13)14)10-5-3-2-4-6-10/h3*6-11,13,16,19H,12,14H2,1-5H3,(H,29,32)(H,28,30,34);2*3-8,10,13,16H,9,11H2,1-2H3,(H2,23,24)(H,25,27);5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20);2-6,9,11,15H,7-8H2,1H3/t3*16-,19-;2*13-,16-;;9-,11-/m10010.0/s1.

What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid has a molecular weight of 2748.99 g/mol, XLogP of 25.83, 16 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;bis(tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 165061596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165061596 — identifiers, structure, computed properties (public domain)

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