N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine

C93H99ClF21N21O19 — CID 165062088

About N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine

N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 165062088) has the molecular formula C93H99ClF21N21O19 and a molecular weight of 2249.35 g/mol. Its IUPAC name is N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 165062088
• Molecular Formula: C93H99ClF21N21O19
• Molecular Weight: 2249.35 g/mol
• Exact Mass: 2247.68
• IUPAC Name: N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine
• SMILES: CC(C)(C)OC(=O)Nc1ncc(N)cc1C(F)(F)F.CC(C)(C)OC(=O)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F.CC1CCC(c2ccc(F)cc2)N(C(=O)C(=O)O)C1.C[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)C(=O)Nc2cnc(N)c(C(F)(F)F)c2)C1.C[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)C(=O)Nc2cnc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c2)C1.N.Nc1ncc([N+](=O)[O-])cc1C(F)(F)F.O=[N+]([O-])c1cnc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C25H28F4N4O4.C20H20F4N4O2.C14H16FNO3.C11H12F3N3O4.C11H14F3N3O2.C6H2ClF3N2O2.C6H4F3N3O2.H3N/c1-14-5-10-19(15-6-8-16(26)9-7-15)33(13-14)22(35)21(34)31-17-11-18(25(27,28)29)20(30-12-17)32-23(36)37-24(2,3)4;1-11-2-7-16(12-3-5-13(21)6-4-12)28(10-11)19(30)18(29)27-14-8-15(20(22,23)24)17(25)26-9-14;1-9-2-7-12(10-3-5-11(15)6-4-10)16(8-9)13(17)14(18)19;1-10(2,3)21-9(18)16-8-7(11(12,13)14)4-6(5-15-8)17(19)20;1-10(2,3)19-9(18)17-8-7(11(12,13)14)4-6(15)5-16-8;7-5-4(6(8,9)10)1-3(2-11-5)12(13)14;7-6(8,9)4-1-3(12(13)14)2-11-5(4)10;/h6-9,11-12,14,19H,5,10,13H2,1-4H3,(H,31,34)(H,30,32,36);3-6,8-9,11,16H,2,7,10H2,1H3,(H2,25,26)(H,27,29);3-6,9,12H,2,7-8H2,1H3,(H,18,19);4-5H,1-3H3,(H,15,16,18);4-5H,15H2,1-3H3,(H,16,17,18);1-2H;1-2H,(H2,10,11);1H3/t14-,19+;11-,16+;;;;;;/m11....../s1
• InChIKey: WNHQOQLELIHCIL-YVFYYLIASA-N
• XLogP: 22.29
• TPSA: 591.24 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2249.35
LogP ≤ 5	22.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine (CID 165062088) is N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine is CC(C)(C)OC(=O)Nc1ncc(N)cc1C(F)(F)F.CC(C)(C)OC(=O)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F.CC1CCC(c2ccc(F)cc2)N(C(=O)C(=O)O)C1.C[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)C(=O)Nc2cnc(N)c(C(F)(F)F)c2)C1.C[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)C(=O)Nc2cnc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c2)C1.N.Nc1ncc([N+](=O)[O-])cc1C(F)(F)F.O=[N+]([O-])c1cnc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine?

The InChIKey is WNHQOQLELIHCIL-YVFYYLIASA-N. The full InChI is InChI=1S/C25H28F4N4O4.C20H20F4N4O2.C14H16FNO3.C11H12F3N3O4.C11H14F3N3O2.C6H2ClF3N2O2.C6H4F3N3O2.H3N/c1-14-5-10-19(15-6-8-16(26)9-7-15)33(13-14)22(35)21(34)31-17-11-18(25(27,28)29)20(30-12-17)32-23(36)37-24(2,3)4;1-11-2-7-16(12-3-5-13(21)6-4-12)28(10-11)19(30)18(29)27-14-8-15(20(22,23)24)17(25)26-9-14;1-9-2-7-12(10-3-5-11(15)6-4-10)16(8-9)13(17)14(18)19;1-10(2,3)21-9(18)16-8-7(11(12,13)14)4-6(5-15-8)17(19)20;1-10(2,3)19-9(18)17-8-7(11(12,13)14)4-6(15)5-16-8;7-5-4(6(8,9)10)1-3(2-11-5)12(13)14;7-6(8,9)4-1-3(12(13)14)2-11-5(4)10;/h6-9,11-12,14,19H,5,10,13H2,1-4H3,(H,31,34)(H,30,32,36);3-6,8-9,11,16H,2,7,10H2,1H3,(H2,25,26)(H,27,29);3-6,9,12H,2,7-8H2,1H3,(H,18,19);4-5H,1-3H3,(H,15,16,18);4-5H,15H2,1-3H3,(H,16,17,18);1-2H;1-2H,(H2,10,11);1H3/t14-,19+;11-,16+;;;;;;/m11....../s1.

What are the key properties of N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine?

N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2249.35 g/mol, XLogP of 22.29, 11 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;azane;tert-butyl N-[5-amino-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-(trifluoromethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;2-[2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;5-nitro-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 165062088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).