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

C106H133F3LiN25O15 — CID 165070040

IUPAClithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
SMILESCc1cc(NC(=O)C(=O)N2CCCCC2c2cccnc2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCCC2c2cccnc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccnc2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cccnc2)cnc1N.Cc1cc(NC(=O)C(=O)OCC(F)(F)F)cnc1NC(=O)OC(C)(C)C.[CH2-]CCC.[Li+].c1cncc(C2CCCCN2)c1
InChIInChI=1S/C23H29N5O4.3C18H21N5O2.C15H18F3N3O5.C10H14N2.C4H9.Li/c1-15-12-17(14-25-19(15)27-22(31)32-23(2,3)4)26-20(29)21(30)28-11-6-5-9-18(28)16-8-7-10-24-13-16;3*1-12-9-14(11-21-16(12)19)22-17(24)18(25)23-8-3-2-6-15(23)13-5-4-7-20-10-13;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;1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-3-4-2;/h7-8,10,12-14,18H,5-6,9,11H2,1-4H3,(H,26,29)(H,25,27,31);3*4-5,7,9-11,15H,2-3,6,8H2,1H3,(H2,19,21)(H,22,24);5-6H,7H2,1-4H3,(H,20,22)(H,19,21,24);3-4,6,8,10,12H,1-2,5,7H2;1,3-4H2,2H3;/q;;;;;;-1;+1/t;2*15-;;;;;/m.10...../s1
InChIKeyNCZZVUUYTXPUBU-RHVKAVEKSA-N
MW2061.32 g/mol
LogP13.30
Rot. Bonds14

About lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;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-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate (PubChem CID 165070040) has the molecular formula C106H133F3LiN25O15 and a molecular weight of 2061.32 g/mol. Its IUPAC name is lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate.

Molecular Properties

Compound Namelithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
PubChem CID165070040
Molecular FormulaC106H133F3LiN25O15
Molecular Weight2061.32 g/mol
Exact Mass2060.05
IUPAC Namelithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
SMILESCc1cc(NC(=O)C(=O)N2CCCCC2c2cccnc2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCCC2c2cccnc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccnc2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cccnc2)cnc1N.Cc1cc(NC(=O)C(=O)OCC(F)(F)F)cnc1NC(=O)OC(C)(C)C.[CH2-]CCC.[Li+].c1cncc(C2CCCCN2)c1
InChIInChI=1S/C23H29N5O4.3C18H21N5O2.C15H18F3N3O5.C10H14N2.C4H9.Li/c1-15-12-17(14-25-19(15)27-22(31)32-23(2,3)4)26-20(29)21(30)28-11-6-5-9-18(28)16-8-7-10-24-13-16;3*1-12-9-14(11-21-16(12)19)22-17(24)18(25)23-8-3-2-6-15(23)13-5-4-7-20-10-13;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;1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-3-4-2;/h7-8,10,12-14,18H,5-6,9,11H2,1-4H3,(H,26,29)(H,25,27,31);3*4-5,7,9-11,15H,2-3,6,8H2,1H3,(H2,19,21)(H,22,24);5-6H,7H2,1-4H3,(H,20,22)(H,19,21,24);3-4,6,8,10,12H,1-2,5,7H2;1,3-4H2,2H3;/q;;;;;;-1;+1/t;2*15-;;;;;/m.10...../s1
InChIKeyNCZZVUUYTXPUBU-RHVKAVEKSA-N
XLogP13.30
TPSA548.69 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds14
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002061.32
LogP ≤ 513.30
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

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'}

Analyze lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;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-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate (CID 165070040) is lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;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-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;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-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate is Cc1cc(NC(=O)C(=O)N2CCCCC2c2cccnc2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCCC2c2cccnc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccnc2)cnc1N.Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cccnc2)cnc1N.Cc1cc(NC(=O)C(=O)OCC(F)(F)F)cnc1NC(=O)OC(C)(C)C.[CH2-]CCC.[Li+].c1cncc(C2CCCCN2)c1.
What is the InChIKey of lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate?
The InChIKey is NCZZVUUYTXPUBU-RHVKAVEKSA-N. The full InChI is InChI=1S/C23H29N5O4.3C18H21N5O2.C15H18F3N3O5.C10H14N2.C4H9.Li/c1-15-12-17(14-25-19(15)27-22(31)32-23(2,3)4)26-20(29)21(30)28-11-6-5-9-18(28)16-8-7-10-24-13-16;3*1-12-9-14(11-21-16(12)19)22-17(24)18(25)23-8-3-2-6-15(23)13-5-4-7-20-10-13;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;1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-3-4-2;/h7-8,10,12-14,18H,5-6,9,11H2,1-4H3,(H,26,29)(H,25,27,31);3*4-5,7,9-11,15H,2-3,6,8H2,1H3,(H2,19,21)(H,22,24);5-6H,7H2,1-4H3,(H,20,22)(H,19,21,24);3-4,6,8,10,12H,1-2,5,7H2;1,3-4H2,2H3;/q;;;;;;-1;+1/t;2*15-;;;;;/m.10...../s1.
What are the key properties of lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;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-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate has a molecular weight of 2061.32 g/mol, XLogP of 13.30, 14 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;3-piperidin-2-ylpyridine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate is sourced from PubChem (CID 165070040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).