N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate

C46H51F6N7O6 — CID 165072624

About N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate

N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate (PubChem CID 165072624) has the molecular formula C46H51F6N7O6 and a molecular weight of 911.94 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate
• PubChem CID: 165072624
• Molecular Formula: C46H51F6N7O6
• Molecular Weight: 911.94 g/mol
• Exact Mass: 911.38
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate
• SMILES: Cc1cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2c2ccccc2)cnc1CC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2c2ccccc2)cnc1N
• InChI: InChI=1S/C26H30F3N3O4.C20H21F3N4O2/c1-16-12-19(14-30-20(16)13-22(33)36-25(2,3)4)31-23(34)24(35)32-15-18(26(27,28)29)10-11-21(32)17-8-6-5-7-9-17;1-12-9-15(10-25-17(12)24)26-18(28)19(29)27-11-14(20(21,22)23)7-8-16(27)13-5-3-2-4-6-13/h5-9,12,14,18,21H,10-11,13,15H2,1-4H3,(H,31,34);2-6,9-10,14,16H,7-8,11H2,1H3,(H2,24,25)(H,26,28)/t18-,21+;14-,16+/m00/s1
• InChIKey: TTZOBMXBMQWZCT-UPNVMHIPSA-N
• XLogP: 8.21
• TPSA: 176.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.94
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate (CID 165072624) is N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate.

What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate?

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate is Cc1cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2c2ccccc2)cnc1CC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2c2ccccc2)cnc1N.

What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate?

The InChIKey is TTZOBMXBMQWZCT-UPNVMHIPSA-N. The full InChI is InChI=1S/C26H30F3N3O4.C20H21F3N4O2/c1-16-12-19(14-30-20(16)13-22(33)36-25(2,3)4)31-23(34)24(35)32-15-18(26(27,28)29)10-11-21(32)17-8-6-5-7-9-17;1-12-9-15(10-25-17(12)24)26-18(28)19(29)27-11-14(20(21,22)23)7-8-16(27)13-5-3-2-4-6-13/h5-9,12,14,18,21H,10-11,13,15H2,1-4H3,(H,31,34);2-6,9-10,14,16H,7-8,11H2,1H3,(H2,24,25)(H,26,28)/t18-,21+;14-,16+/m00/s1.

What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate?

N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate has a molecular weight of 911.94 g/mol, XLogP of 8.21, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetamide;tert-butyl 2-[3-methyl-5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-2-pyridinyl]acetate is sourced from PubChem (CID 165072624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).