lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate

C112H142F3LiN20O15 — CID 164987844

About lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate

lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate (PubChem CID 164987844) has the molecular formula C112H142F3LiN20O15 and a molecular weight of 2072.43 g/mol. Its IUPAC name is lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate.

Molecular Properties

• Compound Name: lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
• PubChem CID: 164987844
• Molecular Formula: C112H142F3LiN20O15
• Molecular Weight: 2072.43 g/mol
• Exact Mass: 2071.11
• IUPAC Name: lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
• SMILES: C.Cc1cc(NC(=O)C(=O)N2CCCCC2c2ccccc2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCCC2c2ccccc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccccc2)cnc1N.Cc1cc(NC(=O)C(=O)OCC(F)(F)F)cnc1NC(=O)OC(C)(C)C.[CH2-]CCC.[Li+].c1ccc(C2CCCCN2)cc1
• InChI: InChI=1S/C24H30N4O4.3C19H22N4O2.C15H18F3N3O5.C11H15N.C4H9.CH4.Li/c1-16-14-18(15-25-20(16)27-23(31)32-24(2,3)4)26-21(29)22(30)28-13-9-8-12-19(28)17-10-6-5-7-11-17;3*1-13-11-15(12-21-17(13)20)22-18(24)19(25)23-10-6-5-9-16(23)14-7-3-2-4-8-14;1-8-5-9(20-11(22)12(23)25-7-15(16,17)18)6-19-10(8)21-13(24)26-14(2,3)4;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-4-2;;/h5-7,10-11,14-15,19H,8-9,12-13H2,1-4H3,(H,26,29)(H,25,27,31);3*2-4,7-8,11-12,16H,5-6,9-10H2,1H3,(H2,20,21)(H,22,24);5-6H,7H2,1-4H3,(H,20,22)(H,19,21,24);1-3,6-7,11-12H,4-5,8-9H2;1,3-4H2,2H3;1H4;/q;;;;;;-1;;+1/t;2*16-;;;;;;/m.10....../s1
• InChIKey: VFIJHWBFXWRFOI-LKFWMAMKSA-N
• XLogP: 16.97
• TPSA: 484.24 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2072.43
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate?

The IUPAC name of lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate (CID 164987844) is lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate.

What is the SMILES notation for lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate?

The canonical SMILES for lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate is C.Cc1cc(NC(=O)C(=O)N2CCCCC2c2ccccc2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCCC2c2ccccc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccccc2)cnc1N.Cc1cc(NC(=O)C(=O)OCC(F)(F)F)cnc1NC(=O)OC(C)(C)C.[CH2-]CCC.[Li+].c1ccc(C2CCCCN2)cc1.

What is the InChIKey of lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate?

The InChIKey is VFIJHWBFXWRFOI-LKFWMAMKSA-N. The full InChI is InChI=1S/C24H30N4O4.3C19H22N4O2.C15H18F3N3O5.C11H15N.C4H9.CH4.Li/c1-16-14-18(15-25-20(16)27-23(31)32-24(2,3)4)26-21(29)22(30)28-13-9-8-12-19(28)17-10-6-5-7-11-17;3*1-13-11-15(12-21-17(13)20)22-18(24)19(25)23-10-6-5-9-16(23)14-7-3-2-4-8-14;1-8-5-9(20-11(22)12(23)25-7-15(16,17)18)6-19-10(8)21-13(24)26-14(2,3)4;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-4-2;;/h5-7,10-11,14-15,19H,8-9,12-13H2,1-4H3,(H,26,29)(H,25,27,31);3*2-4,7-8,11-12,16H,5-6,9-10H2,1H3,(H2,20,21)(H,22,24);5-6H,7H2,1-4H3,(H,20,22)(H,19,21,24);1-3,6-7,11-12H,4-5,8-9H2;1,3-4H2,2H3;1H4;/q;;;;;;-1;;+1/t;2*16-;;;;;;/m.10....../s1.

What are the key properties of lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate?

lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate has a molecular weight of 2072.43 g/mol, XLogP of 16.97, 14 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate is sourced from PubChem (CID 164987844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).