tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C19H28BrN3O5 — CID 59353838

IUPACtert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)c(Br)cn1
InChIInChI=1S/C19H28BrN3O5/c1-18(2,3)27-16(24)23(17(25)28-19(4,5)6)15-11-14(13(20)12-21-15)22-7-9-26-10-8-22/h11-12H,7-10H2,1-6H3
InChIKeyNSNOQCNJYQGYRM-UHFFFAOYSA-N
MW458.35 g/mol
LogP4.36
Rot. Bonds2

About tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 59353838) has the molecular formula C19H28BrN3O5 and a molecular weight of 458.35 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID59353838
Molecular FormulaC19H28BrN3O5
Molecular Weight458.35 g/mol
Exact Mass457.12
IUPAC Nametert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)c(Br)cn1
InChIInChI=1S/C19H28BrN3O5/c1-18(2,3)27-16(24)23(17(25)28-19(4,5)6)15-11-14(13(20)12-21-15)22-7-9-26-10-8-22/h11-12H,7-10H2,1-6H3
InChIKeyNSNOQCNJYQGYRM-UHFFFAOYSA-N
XLogP4.36
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 59353838) is tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)c(Br)cn1.
What is the InChIKey of tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is NSNOQCNJYQGYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN3O5/c1-18(2,3)27-16(24)23(17(25)28-19(4,5)6)15-11-14(13(20)12-21-15)22-7-9-26-10-8-22/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 458.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 59353838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).