tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate

C44H54N4O10 — CID 15163192

About tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate

tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate (PubChem CID 15163192) has the molecular formula C44H54N4O10 and a molecular weight of 798.93 g/mol. Its IUPAC name is tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate
• PubChem CID: 15163192
• Molecular Formula: C44H54N4O10
• Molecular Weight: 798.93 g/mol
• Exact Mass: 798.38
• IUPAC Name: tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate
• SMILES: Cc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C(=O)OC(C)(C)C)cc(COCc3cc(C(=O)OC(C)(C)C)cc(-c4cc(C(=O)OC(C)(C)C)cc(CO)n4)n3)n2)n1
• InChI: InChI=1S/C44H54N4O10/c1-25-14-26(37(50)55-41(2,3)4)18-33(45-25)34-20-28(39(52)57-43(8,9)10)16-31(47-34)23-54-24-32-17-29(40(53)58-44(11,12)13)21-36(48-32)35-19-27(15-30(22-49)46-35)38(51)56-42(5,6)7/h14-21,49H,22-24H2,1-13H3
• InChIKey: LAVYJEZASHMHKJ-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 186.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	798.93
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate?

The IUPAC name of tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate (CID 15163192) is tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate.

What is the SMILES notation for tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate?

The canonical SMILES for tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate is Cc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C(=O)OC(C)(C)C)cc(COCc3cc(C(=O)OC(C)(C)C)cc(-c4cc(C(=O)OC(C)(C)C)cc(CO)n4)n3)n2)n1.

What is the InChIKey of tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate?

The InChIKey is LAVYJEZASHMHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54N4O10/c1-25-14-26(37(50)55-41(2,3)4)18-33(45-25)34-20-28(39(52)57-43(8,9)10)16-31(47-34)23-54-24-32-17-29(40(53)58-44(11,12)13)21-36(48-32)35-19-27(15-30(22-49)46-35)38(51)56-42(5,6)7/h14-21,49H,22-24H2,1-13H3.

What are the key properties of tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate?

tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate has a molecular weight of 798.93 g/mol, XLogP of 7.94, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 15163192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).