tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate

C16H24BrN3O4 — CID 90442592

IUPACtert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc(Br)cc(N2CCOCC2)c1=O
InChIInChI=1S/C16H24BrN3O4/c1-16(2,3)24-15(22)18-4-5-20-11-12(17)10-13(14(20)21)19-6-8-23-9-7-19/h10-11H,4-9H2,1-3H3,(H,18,22)
InChIKeyFCWHJJVJQWOTCQ-UHFFFAOYSA-N
MW402.29 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate

tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate (PubChem CID 90442592) has the molecular formula C16H24BrN3O4 and a molecular weight of 402.29 g/mol. Its IUPAC name is tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate
PubChem CID90442592
Molecular FormulaC16H24BrN3O4
Molecular Weight402.29 g/mol
Exact Mass401.10
IUPAC Nametert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc(Br)cc(N2CCOCC2)c1=O
InChIInChI=1S/C16H24BrN3O4/c1-16(2,3)24-15(22)18-4-5-20-11-12(17)10-13(14(20)21)19-6-8-23-9-7-19/h10-11H,4-9H2,1-3H3,(H,18,22)
InChIKeyFCWHJJVJQWOTCQ-UHFFFAOYSA-N
XLogP1.97
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate (CID 90442592) is tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate is CC(C)(C)OC(=O)NCCn1cc(Br)cc(N2CCOCC2)c1=O.
What is the InChIKey of tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate?
The InChIKey is FCWHJJVJQWOTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O4/c1-16(2,3)24-15(22)18-4-5-20-11-12(17)10-13(14(20)21)19-6-8-23-9-7-19/h10-11H,4-9H2,1-3H3,(H,18,22).
What are the key properties of tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate?
tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate has a molecular weight of 402.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl]carbamate is sourced from PubChem (CID 90442592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).