lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide

C121H173LiN18O30 — CID 158406736

About lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide

lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide (PubChem CID 158406736) has the molecular formula C121H173LiN18O30 and a molecular weight of 2366.75 g/mol. Its IUPAC name is lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide.

Molecular Properties

• Compound Name: lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide
• PubChem CID: 158406736
• Molecular Formula: C121H173LiN18O30
• Molecular Weight: 2366.75 g/mol
• Exact Mass: 2365.27
• IUPAC Name: lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide
• SMILES: C.CC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1.CC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1.COC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1.COC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1.COC(=O)CNCCNCC(C)=O.[Li+].[OH-]
• InChI: InChI=1S/2C30H42N4O7.C30H42N4O6.C22H26N4O6.C8H16N2O3.CH4.Li.H2O/c2*1-21(35)17-33(18-22-11-9-13-24(31-22)27(37)40-29(2,3)4)15-16-34(20-26(36)39-8)19-23-12-10-14-25(32-23)28(38)41-30(5,6)7;1-21(35)17-33(19-23-11-9-13-25(31-23)27(37)39-29(3,4)5)15-16-34(18-22(2)36)20-24-12-10-14-26(32-24)28(38)40-30(6,7)8;1-15(27)11-25(13-17-5-3-7-19(23-17)21(29)30)9-10-26(12-16(2)28)14-18-6-4-8-20(24-18)22(31)32;1-7(11)5-9-3-4-10-6-8(12)13-2;;;/h2*9-14H,15-20H2,1-8H3;9-14H,15-20H2,1-8H3;3-8H,9-14H2,1-2H3,(H,29,30)(H,31,32);9-10H,3-6H2,1-2H3;1H4;;1H2/q;;;;;;+1;/p-1
• InChIKey: GYUHVHAVRVVNEJ-UHFFFAOYSA-M
• XLogP: 8.52
• TPSA: 613.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 46
• Rotatable Bonds: 59
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2366.75
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide?

The IUPAC name of lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide (CID 158406736) is lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide.

What is the SMILES notation for lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide?

The canonical SMILES for lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide is C.CC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1.CC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1.COC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1.COC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1.COC(=O)CNCCNCC(C)=O.[Li+].[OH-].

What is the InChIKey of lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide?

The InChIKey is GYUHVHAVRVVNEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C30H42N4O7.C30H42N4O6.C22H26N4O6.C8H16N2O3.CH4.Li.H2O/c2*1-21(35)17-33(18-22-11-9-13-24(31-22)27(37)40-29(2,3)4)15-16-34(20-26(36)39-8)19-23-12-10-14-25(32-23)28(38)41-30(5,6)7;1-21(35)17-33(19-23-11-9-13-25(31-23)27(37)39-29(3,4)5)15-16-34(18-22(2)36)20-24-12-10-14-26(32-24)28(38)40-30(6,7)8;1-15(27)11-25(13-17-5-3-7-19(23-17)21(29)30)9-10-26(12-16(2)28)14-18-6-4-8-20(24-18)22(31)32;1-7(11)5-9-3-4-10-6-8(12)13-2;;;/h2*9-14H,15-20H2,1-8H3;9-14H,15-20H2,1-8H3;3-8H,9-14H2,1-2H3,(H,29,30)(H,31,32);9-10H,3-6H2,1-2H3;1H4;;1H2/q;;;;;;+1;/p-1.

What are the key properties of lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide?

lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide has a molecular weight of 2366.75 g/mol, XLogP of 8.52, 59 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;bis(tert-butyl 6-[[2-[(2-methoxy-2-oxoethyl)-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl]amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate);tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate;6-[[2-[(6-carboxy-2-pyridinyl)methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylic acid;methane;methyl 2-[2-(2-oxopropylamino)ethylamino]acetate;hydroxide is sourced from PubChem (CID 158406736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).