2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide

C11H16BrN3O2 — CID 80501712

IUPAC2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1cc(N)cc(Br)c1=O
InChIInChI=1S/C11H16BrN3O2/c1-11(2,3)14-9(16)6-15-5-7(13)4-8(12)10(15)17/h4-5H,6,13H2,1-3H3,(H,14,16)
InChIKeyKFGJWQYGALXARQ-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.11
Rot. Bonds2

About 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide

2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide (PubChem CID 80501712) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide
PubChem CID80501712
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1cc(N)cc(Br)c1=O
InChIInChI=1S/C11H16BrN3O2/c1-11(2,3)14-9(16)6-15-5-7(13)4-8(12)10(15)17/h4-5H,6,13H2,1-3H3,(H,14,16)
InChIKeyKFGJWQYGALXARQ-UHFFFAOYSA-N
XLogP1.11
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide?
The IUPAC name of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide (CID 80501712) is 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide?
The canonical SMILES for 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide is CC(C)(C)NC(=O)Cn1cc(N)cc(Br)c1=O.
What is the InChIKey of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide?
The InChIKey is KFGJWQYGALXARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-11(2,3)14-9(16)6-15-5-7(13)4-8(12)10(15)17/h4-5H,6,13H2,1-3H3,(H,14,16).
What are the key properties of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide?
2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide has a molecular weight of 302.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide is sourced from PubChem (CID 80501712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).