tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate

C17H20N4O4 — CID 121284076

IUPACtert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1cncc(-c2ccnc(C=O)c2)n1
InChIInChI=1S/C17H20N4O4/c1-17(2,3)25-16(23)20-6-7-24-15-10-18-9-14(21-15)12-4-5-19-13(8-12)11-22/h4-5,8-11H,6-7H2,1-3H3,(H,20,23)
InChIKeySKNXCYDWWPLCFR-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.25
Rot. Bonds6

About tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate

tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate (PubChem CID 121284076) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate
PubChem CID121284076
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Nametert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1cncc(-c2ccnc(C=O)c2)n1
InChIInChI=1S/C17H20N4O4/c1-17(2,3)25-16(23)20-6-7-24-15-10-18-9-14(21-15)12-4-5-19-13(8-12)11-22/h4-5,8-11H,6-7H2,1-3H3,(H,20,23)
InChIKeySKNXCYDWWPLCFR-UHFFFAOYSA-N
XLogP2.25
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-pyridin-4-ylphenoxy)ethyl]carbamate
CID 176896349
tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
tert-butyl N-[2-(1-aminoisoquinolin-7-yl)oxyethyl]carbamate
CID 22631368
tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate
CID 175662867
tert-butyl N-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]carbamate
CID 90434725
tert-butyl N-[2-[(5-iodo-3-pyridinyl)oxy]ethyl]carbamate
CID 145472703
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543
tert-butyl N-[[4-(6-formyl-3-pyridinyl)phenyl]methyl]carbamate
CID 134274886
tert-butyl N-[2-[[4-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-methylamino]ethyl]carbamate
CID 114080800
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724
tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 15434960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate (CID 121284076) is tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOc1cncc(-c2ccnc(C=O)c2)n1.
What is the InChIKey of tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate?
The InChIKey is SKNXCYDWWPLCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-17(2,3)25-16(23)20-6-7-24-15-10-18-9-14(21-15)12-4-5-19-13(8-12)11-22/h4-5,8-11H,6-7H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate?
tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate has a molecular weight of 344.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate is sourced from PubChem (CID 121284076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).