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

C70H81F9N12O11 — CID 165082252

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;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)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (PubChem CID 165082252) has the molecular formula C70H81F9N12O11 and a molecular weight of 1437.47 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;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)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• PubChem CID: 165082252
• Molecular Formula: C70H81F9N12O11
• Molecular Weight: 1437.47 g/mol
• Exact Mass: 1436.60
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-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)cc2)C(F)(F)C1.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC(F)(F)[C@@H]2c2ccc(F)cc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC(F)(F)[C@@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C25H29F3N4O4.C20H21F3N4O2.C13H17N3O5.C12H14F3N/c1-14-11-25(27,28)19(16-6-8-17(26)9-7-16)32(13-14)22(34)21(33)30-18-10-15(2)20(29-12-18)31-23(35)36-24(3,4)5;1-11-8-20(22,23)16(13-3-5-14(21)6-4-13)27(10-11)19(29)18(28)26-15-7-12(2)17(24)25-9-15;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4;1-8-6-12(14,15)11(16-7-8)9-2-4-10(13)5-3-9/h6-10,12,14,19H,11,13H2,1-5H3,(H,30,33)(H,29,31,35);3-7,9,11,16H,8,10H2,1-2H3,(H2,24,25)(H,26,28);5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20);2-5,8,11,16H,6-7H2,1H3/t14-,19-;11-,16-;;8-,11-/m00.0/s1
• InChIKey: VHTFPHRSJHSUHN-YUZYXNMPSA-N
• XLogP: 13.25
• TPSA: 318.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1437.47
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'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)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;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)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (CID 165082252) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;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)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;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)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-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)cc2)C(F)(F)C1.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC(F)(F)[C@@H]2c2ccc(F)cc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC(F)(F)[C@@H]2c2ccc(F)cc2)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)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The InChIKey is VHTFPHRSJHSUHN-YUZYXNMPSA-N. The full InChI is InChI=1S/C25H29F3N4O4.C20H21F3N4O2.C13H17N3O5.C12H14F3N/c1-14-11-25(27,28)19(16-6-8-17(26)9-7-16)32(13-14)22(34)21(33)30-18-10-15(2)20(29-12-18)31-23(35)36-24(3,4)5;1-11-8-20(22,23)16(13-3-5-14(21)6-4-13)27(10-11)19(29)18(28)26-15-7-12(2)17(24)25-9-15;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4;1-8-6-12(14,15)11(16-7-8)9-2-4-10(13)5-3-9/h6-10,12,14,19H,11,13H2,1-5H3,(H,30,33)(H,29,31,35);3-7,9,11,16H,8,10H2,1-2H3,(H2,24,25)(H,26,28);5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20);2-5,8,11,16H,6-7H2,1H3/t14-,19-;11-,16-;;8-,11-/m00.0/s1.

What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;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)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid has a molecular weight of 1437.47 g/mol, XLogP of 13.25, 8 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 165082252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).