tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate

C17H21BrN4O2 — CID 155167223

IUPACtert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate
SMILESCc1cnc(C(C)NC(=O)OC(C)(C)C)c(-c2ccc(Br)cn2)n1
InChIInChI=1S/C17H21BrN4O2/c1-10-8-20-14(11(2)22-16(23)24-17(3,4)5)15(21-10)13-7-6-12(18)9-19-13/h6-9,11H,1-5H3,(H,22,23)
InChIKeyZTKLPPXDMQPQFM-UHFFFAOYSA-N
MW393.29 g/mol
LogP4.20
Rot. Bonds3

About tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate

tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate (PubChem CID 155167223) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate
PubChem CID155167223
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC Nametert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate
SMILESCc1cnc(C(C)NC(=O)OC(C)(C)C)c(-c2ccc(Br)cn2)n1
InChIInChI=1S/C17H21BrN4O2/c1-10-8-20-14(11(2)22-16(23)24-17(3,4)5)15(21-10)13-7-6-12(18)9-19-13/h6-9,11H,1-5H3,(H,22,23)
InChIKeyZTKLPPXDMQPQFM-UHFFFAOYSA-N
XLogP4.20
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S)-1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate
CID 155167221
tert-butyl N-[(1S)-1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethyl]carbamate
CID 172741939
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;sulfane
CID 158971973
(3R)-3-(3,5-dibromo-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 103840504
tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate
CID 175742159
tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 59347645
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519
tert-butyl N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]carbamate
CID 177202082
tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
CID 172851620
tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate
CID 58248384
tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate (CID 155167223) is tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate is Cc1cnc(C(C)NC(=O)OC(C)(C)C)c(-c2ccc(Br)cn2)n1.
What is the InChIKey of tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate?
The InChIKey is ZTKLPPXDMQPQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-10-8-20-14(11(2)22-16(23)24-17(3,4)5)15(21-10)13-7-6-12(18)9-19-13/h6-9,11H,1-5H3,(H,22,23).
What are the key properties of tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate?
tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate has a molecular weight of 393.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate is sourced from PubChem (CID 155167223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).