2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid

C16H24BrN3O4 — CID 118870937

IUPAC2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCn1cc(Br)cc(N2CCOCC2)c1=O)C(=O)O
InChIInChI=1S/C16H24BrN3O4/c1-16(2,3)20(15(22)23)5-4-19-11-12(17)10-13(14(19)21)18-6-8-24-9-7-18/h10-11H,4-9H2,1-3H3,(H,22,23)
InChIKeyJLGPNKDFQPTXCG-UHFFFAOYSA-N
MW402.29 g/mol
LogP2.23
Rot. Bonds4

About 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid

2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid (PubChem CID 118870937) has the molecular formula C16H24BrN3O4 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid
PubChem CID118870937
Molecular FormulaC16H24BrN3O4
Molecular Weight402.29 g/mol
Exact Mass401.10
IUPAC Name2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCn1cc(Br)cc(N2CCOCC2)c1=O)C(=O)O
InChIInChI=1S/C16H24BrN3O4/c1-16(2,3)20(15(22)23)5-4-19-11-12(17)10-13(14(19)21)18-6-8-24-9-7-18/h10-11H,4-9H2,1-3H3,(H,22,23)
InChIKeyJLGPNKDFQPTXCG-UHFFFAOYSA-N
XLogP2.23
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid (CID 118870937) is 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCn1cc(Br)cc(N2CCOCC2)c1=O)C(=O)O.
What is the InChIKey of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid?
The InChIKey is JLGPNKDFQPTXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O4/c1-16(2,3)20(15(22)23)5-4-19-11-12(17)10-13(14(19)21)18-6-8-24-9-7-18/h10-11H,4-9H2,1-3H3,(H,22,23).
What are the key properties of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid?
2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid has a molecular weight of 402.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 118870937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).