2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate

C12H16BrN3O4 — CID 175152234

IUPAC2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate
SMILESNC(=O)OCCn1cc(Br)cc(N2CCOCC2)c1=O
InChIInChI=1S/C12H16BrN3O4/c13-9-7-10(15-1-4-19-5-2-15)11(17)16(8-9)3-6-20-12(14)18/h7-8H,1-6H2,(H2,14,18)
InChIKeyWVAPITJDFCZLPM-UHFFFAOYSA-N
MW346.18 g/mol
LogP0.54
Rot. Bonds4

About 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate

2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate (PubChem CID 175152234) has the molecular formula C12H16BrN3O4 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate.

Molecular Properties

Compound Name2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate
PubChem CID175152234
Molecular FormulaC12H16BrN3O4
Molecular Weight346.18 g/mol
Exact Mass345.03
IUPAC Name2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate
SMILESNC(=O)OCCn1cc(Br)cc(N2CCOCC2)c1=O
InChIInChI=1S/C12H16BrN3O4/c13-9-7-10(15-1-4-19-5-2-15)11(17)16(8-9)3-6-20-12(14)18/h7-8H,1-6H2,(H2,14,18)
InChIKeyWVAPITJDFCZLPM-UHFFFAOYSA-N
XLogP0.54
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate
CID 68605488
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2-(6-chloro-4-morpholin-4-ylpyridazin-3-yl)oxyethanol
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(4-bromo-2-morpholin-4-ylphenyl)methanamine
CID 43364908
propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate
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[4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate
CID 174664478
2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate
CID 83210921
5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine
CID 145432315
5-bromo-3-methyl-7-morpholin-4-yl-1H-benzimidazol-2-one
CID 171809546
N'-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119934022
2-(1,3-dioxoisoindol-2-yl)ethyl 4-morpholin-4-yl-3-nitrobenzoate
CID 5182164
2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate
CID 175030898

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate?
The IUPAC name of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate (CID 175152234) is 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate.
What is the SMILES notation for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate?
The canonical SMILES for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate is NC(=O)OCCn1cc(Br)cc(N2CCOCC2)c1=O.
What is the InChIKey of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate?
The InChIKey is WVAPITJDFCZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O4/c13-9-7-10(15-1-4-19-5-2-15)11(17)16(8-9)3-6-20-12(14)18/h7-8H,1-6H2,(H2,14,18).
What are the key properties of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate?
2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate has a molecular weight of 346.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate is sourced from PubChem (CID 175152234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).