tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate

C15H22N2O5 — CID 118989818

IUPACtert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
SMILESCC(C)(C)OC(=O)Nc1cc(OC(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C15H22N2O5/c1-14(2,3)21-12(18)17-11-9-10(7-8-16-11)20-13(19)22-15(4,5)6/h7-9H,1-6H3,(H,16,17,18)
InChIKeyRAILNJLVNDNSNC-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.74
Rot. Bonds2

About tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate

tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate (PubChem CID 118989818) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate.

Molecular Properties

Compound Nametert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
PubChem CID118989818
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nametert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
SMILESCC(C)(C)OC(=O)Nc1cc(OC(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C15H22N2O5/c1-14(2,3)21-12(18)17-11-9-10(7-8-16-11)20-13(19)22-15(4,5)6/h7-9H,1-6H3,(H,16,17,18)
InChIKeyRAILNJLVNDNSNC-UHFFFAOYSA-N
XLogP3.74
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] benzoate
CID 174480721
tert-butyl N-(4-acetyl-2-pyridinyl)carbamate;tert-butyl N-(4-methoxy-2-pyridinyl)carbamate
CID 158085434
tert-butyl N-[4-(4-nitrophenoxy)-2-pyridinyl]carbamate;ethane
CID 123844996
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate
CID 22063539
tert-butyl N-[4-[(2-methyl-6-nitro-3-pyridinyl)oxy]-2-pyridinyl]carbamate
CID 131735225
tert-butyl N-[4-(2-chloro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 175583227
tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
CID 173234410
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]ethyl acetate
CID 139349598
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344

Frequently Asked Questions

What is the IUPAC name of tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate?
The IUPAC name of tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate (CID 118989818) is tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate.
What is the SMILES notation for tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate?
The canonical SMILES for tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate is CC(C)(C)OC(=O)Nc1cc(OC(=O)OC(C)(C)C)ccn1.
What is the InChIKey of tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate?
The InChIKey is RAILNJLVNDNSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-14(2,3)21-12(18)17-11-9-10(7-8-16-11)20-13(19)22-15(4,5)6/h7-9H,1-6H3,(H,16,17,18).
What are the key properties of tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate?
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate has a molecular weight of 310.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate is sourced from PubChem (CID 118989818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).