2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide

C66H86N12O8 — CID 15163202

IUPAC2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(-c2cc(C(=O)N(CC)CC)cc(COCc3cc(C(=O)N(CC)CC)cc(-c4cc(C(=O)N(CC)CC)cc(COCc5cc(C(=O)N(CC)CC)cc(-c6cc(C(=O)N(CC)CC)cc(C)n6)n5)n4)n3)n2)c1
InChIInChI=1S/C66H86N12O8/c1-15-73(16-2)61(79)45-27-43(13)67-55(33-45)57-35-47(63(81)75(19-5)20-6)29-51(69-57)39-85-41-53-31-49(65(83)77(23-9)24-10)37-59(71-53)60-38-50(66(84)78(25-11)26-12)32-54(72-60)42-86-40-52-30-48(64(82)76(21-7)22-8)36-58(70-52)56-34-46(28-44(14)68-56)62(80)74(17-3)18-4/h27-38H,15-26,39-42H2,1-14H3
InChIKeyDBFQHKSRUVAFSN-UHFFFAOYSA-N
MW1175.49 g/mol
LogP10.00
Rot. Bonds29

About 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide

2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide (PubChem CID 15163202) has the molecular formula C66H86N12O8 and a molecular weight of 1175.49 g/mol. Its IUPAC name is 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide
PubChem CID15163202
Molecular FormulaC66H86N12O8
Molecular Weight1175.49 g/mol
Exact Mass1174.67
IUPAC Name2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(-c2cc(C(=O)N(CC)CC)cc(COCc3cc(C(=O)N(CC)CC)cc(-c4cc(C(=O)N(CC)CC)cc(COCc5cc(C(=O)N(CC)CC)cc(-c6cc(C(=O)N(CC)CC)cc(C)n6)n5)n4)n3)n2)c1
InChIInChI=1S/C66H86N12O8/c1-15-73(16-2)61(79)45-27-43(13)67-55(33-45)57-35-47(63(81)75(19-5)20-6)29-51(69-57)39-85-41-53-31-49(65(83)77(23-9)24-10)37-59(71-53)60-38-50(66(84)78(25-11)26-12)32-54(72-60)42-86-40-52-30-48(64(82)76(21-7)22-8)36-58(70-52)56-34-46(28-44(14)68-56)62(80)74(17-3)18-4/h27-38H,15-26,39-42H2,1-14H3
InChIKeyDBFQHKSRUVAFSN-UHFFFAOYSA-N
XLogP10.00
TPSA217.66 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001175.49
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide with MolForge

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Related Compounds

Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162
[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
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
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
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
Tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate
CID 15163216
Tetraethyl 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(34),29,31-pentadecaene-5,10,18,23-tetracarboxylate
CID 23545484
Tetraethyl 8,21,27,28,29,30-hexazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene-4,12,17,25-tetracarboxylate
CID 23545485
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
CID 23545486
Methyl 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-30-carboxylate
CID 23545487
30,35-Bis(2-aminoethylcarbamoyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10,18,23-tetracarboxylic acid
CID 59780159

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide (CID 15163202) is 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc(-c2cc(C(=O)N(CC)CC)cc(COCc3cc(C(=O)N(CC)CC)cc(-c4cc(C(=O)N(CC)CC)cc(COCc5cc(C(=O)N(CC)CC)cc(-c6cc(C(=O)N(CC)CC)cc(C)n6)n5)n4)n3)n2)c1.
What is the InChIKey of 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide?
The InChIKey is DBFQHKSRUVAFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H86N12O8/c1-15-73(16-2)61(79)45-27-43(13)67-55(33-45)57-35-47(63(81)75(19-5)20-6)29-51(69-57)39-85-41-53-31-49(65(83)77(23-9)24-10)37-59(71-53)60-38-50(66(84)78(25-11)26-12)32-54(72-60)42-86-40-52-30-48(64(82)76(21-7)22-8)36-58(70-52)56-34-46(28-44(14)68-56)62(80)74(17-3)18-4/h27-38H,15-26,39-42H2,1-14H3.
What are the key properties of 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide?
2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide has a molecular weight of 1175.49 g/mol, XLogP of 10.00, 29 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 15163202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).