tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate

C30H42N4O6 — CID 58567044

IUPACtert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate
SMILESCC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C30H42N4O6/c1-21(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/h9-14H,15-20H2,1-8H3
InChIKeyOUYGTTXTZVFHCA-UHFFFAOYSA-N
MW554.69 g/mol
LogP3.87
Rot. Bonds13

About tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)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 (PubChem CID 58567044) has the molecular formula C30H42N4O6 and a molecular weight of 554.69 g/mol. Its IUPAC name is tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate
PubChem CID58567044
Molecular FormulaC30H42N4O6
Molecular Weight554.69 g/mol
Exact Mass554.31
IUPAC Nametert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate
SMILESCC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C30H42N4O6/c1-21(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/h9-14H,15-20H2,1-8H3
InChIKeyOUYGTTXTZVFHCA-UHFFFAOYSA-N
XLogP3.87
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.69
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

Diethyl dipicolinate
CID 254510
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421
Methyl 6-methylpyridine-2-carboxylate
CID 73022
2,2'-Bipyridine-6,6'-dicarboxylic Acid
CID 9959961
Ethyl 6-methylpyridine-2-carboxylate
CID 564597
6,6'-(Azanediylbis(methylene))dipicolinic acid
CID 155126357
Diisopropyl pyridine-2,6-dicarboxylate
CID 746767
Dipentyl pyridine-2,6-dicarboxylate
CID 1725701

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate (CID 58567044) is tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate is CC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate?
The InChIKey is OUYGTTXTZVFHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O6/c1-21(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/h9-14H,15-20H2,1-8H3.
What are the key properties of tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)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 has a molecular weight of 554.69 g/mol, XLogP of 3.87, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[2-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methyl-(2-oxopropyl)amino]ethyl-(2-oxopropyl)amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 58567044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).