tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate

C39H55N7O9 — CID 139250465

IUPACtert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate
SMILESCC(C)COc1cc(NC(=O)OC(C)(C)C)nc(NC(=O)c2cc(OCC(C)C)cc(C(=O)Nc3cc(OCC(C)C)cc(NC(=O)OC(C)(C)C)n3)n2)c1
InChIInChI=1S/C39H55N7O9/c1-22(2)19-51-25-13-28(34(47)43-30-15-26(52-20-23(3)4)17-32(41-30)45-36(49)54-38(7,8)9)40-29(14-25)35(48)44-31-16-27(53-21-24(5)6)18-33(42-31)46-37(50)55-39(10,11)12/h13-18,22-24H,19-21H2,1-12H3,(H2,41,43,45,47,49)(H2,42,44,46,48,50)
InChIKeyBXEIZBKYZCWXEC-UHFFFAOYSA-N
MW765.91 g/mol
LogP8.17
Rot. Bonds15

About tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate

tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate (PubChem CID 139250465) has the molecular formula C39H55N7O9 and a molecular weight of 765.91 g/mol. Its IUPAC name is tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate
PubChem CID139250465
Molecular FormulaC39H55N7O9
Molecular Weight765.91 g/mol
Exact Mass765.41
IUPAC Nametert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate
SMILESCC(C)COc1cc(NC(=O)OC(C)(C)C)nc(NC(=O)c2cc(OCC(C)C)cc(C(=O)Nc3cc(OCC(C)C)cc(NC(=O)OC(C)(C)C)n3)n2)c1
InChIInChI=1S/C39H55N7O9/c1-22(2)19-51-25-13-28(34(47)43-30-15-26(52-20-23(3)4)17-32(41-30)45-36(49)54-38(7,8)9)40-29(14-25)35(48)44-31-16-27(53-21-24(5)6)18-33(42-31)46-37(50)55-39(10,11)12/h13-18,22-24H,19-21H2,1-12H3,(H2,41,43,45,47,49)(H2,42,44,46,48,50)
InChIKeyBXEIZBKYZCWXEC-UHFFFAOYSA-N
XLogP8.17
TPSA201.22 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500765.91
LogP ≤ 58.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate with MolForge

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Related Compounds

4-(2-methylpropoxy)pyridine-2,6-dicarbohydrazide
CID 122386120
tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
CID 102215306
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727
tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
CID 144985934
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
CID 86086992
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate (CID 139250465) is tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate is CC(C)COc1cc(NC(=O)OC(C)(C)C)nc(NC(=O)c2cc(OCC(C)C)cc(C(=O)Nc3cc(OCC(C)C)cc(NC(=O)OC(C)(C)C)n3)n2)c1.
What is the InChIKey of tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate?
The InChIKey is BXEIZBKYZCWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H55N7O9/c1-22(2)19-51-25-13-28(34(47)43-30-15-26(52-20-23(3)4)17-32(41-30)45-36(49)54-38(7,8)9)40-29(14-25)35(48)44-31-16-27(53-21-24(5)6)18-33(42-31)46-37(50)55-39(10,11)12/h13-18,22-24H,19-21H2,1-12H3,(H2,41,43,45,47,49)(H2,42,44,46,48,50).
What are the key properties of tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate?
tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate has a molecular weight of 765.91 g/mol, XLogP of 8.17, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-2-pyridinyl]carbamoyl]-4-(2-methylpropoxy)pyridine-2-carbonyl]amino]-4-(2-methylpropoxy)-2-pyridinyl]carbamate is sourced from PubChem (CID 139250465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).