2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide

C13H11BrClN3O2 — CID 103961932

IUPAC2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide
SMILESNc1cn(CC(=O)Nc2cccc(Cl)c2)cc(Br)c1=O
InChIInChI=1S/C13H11BrClN3O2/c14-10-5-18(6-11(16)13(10)20)7-12(19)17-9-3-1-2-8(15)4-9/h1-6H,7,16H2,(H,17,19)
InChIKeyAPQGBKYEFHQAJU-UHFFFAOYSA-N
MW356.61 g/mol
LogP2.49
Rot. Bonds3

About 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide

2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide (PubChem CID 103961932) has the molecular formula C13H11BrClN3O2 and a molecular weight of 356.61 g/mol. Its IUPAC name is 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide
PubChem CID103961932
Molecular FormulaC13H11BrClN3O2
Molecular Weight356.61 g/mol
Exact Mass354.97
IUPAC Name2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide
SMILESNc1cn(CC(=O)Nc2cccc(Cl)c2)cc(Br)c1=O
InChIInChI=1S/C13H11BrClN3O2/c14-10-5-18(6-11(16)13(10)20)7-12(19)17-9-3-1-2-8(15)4-9/h1-6H,7,16H2,(H,17,19)
InChIKeyAPQGBKYEFHQAJU-UHFFFAOYSA-N
XLogP2.49
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 63801302
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108257
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
CID 79108893
N-(3-chlorophenyl)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 23310387
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 7733866
2-[(2-bromophenyl)methylamino]-N-(3-chlorophenyl)acetamide
CID 61401955
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
2-(2-amino-6-bromo-4-fluorophenoxy)-N-(3-chlorophenyl)acetamide
CID 43379337

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide (CID 103961932) is 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide is Nc1cn(CC(=O)Nc2cccc(Cl)c2)cc(Br)c1=O.
What is the InChIKey of 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide?
The InChIKey is APQGBKYEFHQAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O2/c14-10-5-18(6-11(16)13(10)20)7-12(19)17-9-3-1-2-8(15)4-9/h1-6H,7,16H2,(H,17,19).
What are the key properties of 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide?
2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide has a molecular weight of 356.61 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 103961932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).