2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide

C12H12BrN3O2S — CID 62815486

IUPAC2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
SMILESNc1ccc(=O)n(CC(=O)NCc2ccc(Br)s2)c1
InChIInChI=1S/C12H12BrN3O2S/c13-10-3-2-9(19-10)5-15-11(17)7-16-6-8(14)1-4-12(16)18/h1-4,6H,5,7,14H2,(H,15,17)
InChIKeyBKNJUSXRFRWRSD-UHFFFAOYSA-N
MW342.22 g/mol
LogP1.57
Rot. Bonds4

About 2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide

2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide (PubChem CID 62815486) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
PubChem CID62815486
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
SMILESNc1ccc(=O)n(CC(=O)NCc2ccc(Br)s2)c1
InChIInChI=1S/C12H12BrN3O2S/c13-10-3-2-9(19-10)5-15-11(17)7-16-6-8(14)1-4-12(16)18/h1-4,6H,5,7,14H2,(H,15,17)
InChIKeyBKNJUSXRFRWRSD-UHFFFAOYSA-N
XLogP1.57
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide (CID 62815486) is 2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide is Nc1ccc(=O)n(CC(=O)NCc2ccc(Br)s2)c1.
What is the InChIKey of 2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide?
The InChIKey is BKNJUSXRFRWRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c13-10-3-2-9(19-10)5-15-11(17)7-16-6-8(14)1-4-12(16)18/h1-4,6H,5,7,14H2,(H,15,17).
What are the key properties of 2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide?
2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide has a molecular weight of 342.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 62815486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).