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

C66H80N6O14 — CID 15163193

IUPACtert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate
SMILESCc1cc(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(COCc5cc(C(=O)OC(C)(C)C)cc(-c6cc(C(=O)OC(C)(C)C)cc(C)n6)n5)n4)n3)n2)n1
InChIInChI=1S/C66H80N6O14/c1-37-21-39(55(73)81-61(3,4)5)27-49(67-37)51-29-41(57(75)83-63(9,10)11)23-45(69-51)33-79-35-47-25-43(59(77)85-65(15,16)17)31-53(71-47)54-32-44(60(78)86-66(18,19)20)26-48(72-54)36-80-34-46-24-42(58(76)84-64(12,13)14)30-52(70-46)50-28-40(22-38(2)68-50)56(74)82-62(6,7)8/h21-32H,33-36H2,1-20H3
InChIKeyJVZFFUYVBNSQGZ-UHFFFAOYSA-N
MW1181.39 g/mol
LogP12.84
Rot. Bonds17

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

tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate (PubChem CID 15163193) has the molecular formula C66H80N6O14 and a molecular weight of 1181.39 g/mol. Its IUPAC name is tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate
PubChem CID15163193
Molecular FormulaC66H80N6O14
Molecular Weight1181.39 g/mol
Exact Mass1180.57
IUPAC Nametert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate
SMILESCc1cc(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(COCc5cc(C(=O)OC(C)(C)C)cc(-c6cc(C(=O)OC(C)(C)C)cc(C)n6)n5)n4)n3)n2)n1
InChIInChI=1S/C66H80N6O14/c1-37-21-39(55(73)81-61(3,4)5)27-49(67-37)51-29-41(57(75)83-63(9,10)11)23-45(69-51)33-79-35-47-25-43(59(77)85-65(15,16)17)31-53(71-47)54-32-44(60(78)86-66(18,19)20)26-48(72-54)36-80-34-46-24-42(58(76)84-64(12,13)14)30-52(70-46)50-28-40(22-38(2)68-50)56(74)82-62(6,7)8/h21-32H,33-36H2,1-20H3
InChIKeyJVZFFUYVBNSQGZ-UHFFFAOYSA-N
XLogP12.84
TPSA253.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001181.39
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162
Trimethyl [2,2'-bipyridine]-4,6,6'-tricarboxylate
CID 170564942
Diethyl 5,10,18,23-tetraacetyl-1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28,30,32(34)-pentadecaene-29,31-dicarboxylate;3-(trifluoromethyl)dioxirane
CID 91121287
Tert-butyl 2-methyl-6-[6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate
CID 14686370
[6-[6-[[6-(6-Methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methyl 3-methyl-2-[2-methyl-6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxycarbonyl]phenyl]benzoate
CID 16158638
Ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate
CID 139126464
Copper(1+);bis(methyl 2-(4-methoxycarbonyl-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylate);hexafluorophosphate
CID 139180550
Cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);methyl 2,6-bis(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;ruthenium(2+)
CID 139258579
Tert-butyl 2-(hydroxymethyl)-6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate
CID 15163188
Tert-butyl 2-methyl-6-[6-[[6-[6-methyl-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]pyridine-4-carboxylate
CID 15163190
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
2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide
CID 15163201

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate (CID 15163193) is tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-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(COCc5cc(C(=O)OC(C)(C)C)cc(-c6cc(C(=O)OC(C)(C)C)cc(C)n6)n5)n4)n3)n2)n1.
What is the InChIKey of tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate?
The InChIKey is JVZFFUYVBNSQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H80N6O14/c1-37-21-39(55(73)81-61(3,4)5)27-49(67-37)51-29-41(57(75)83-63(9,10)11)23-45(69-51)33-79-35-47-25-43(59(77)85-65(15,16)17)31-53(71-47)54-32-44(60(78)86-66(18,19)20)26-48(72-54)36-80-34-46-24-42(58(76)84-64(12,13)14)30-52(70-46)50-28-40(22-38(2)68-50)56(74)82-62(6,7)8/h21-32H,33-36H2,1-20H3.
What are the key properties of tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate?
tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate has a molecular weight of 1181.39 g/mol, XLogP of 12.84, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-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]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate is sourced from PubChem (CID 15163193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).