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

C13H11Br2N3O2 — CID 80501784

IUPAC2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide
SMILESNc1cc(Br)c(=O)n(CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C13H11Br2N3O2/c14-8-1-3-10(4-2-8)17-12(19)7-18-6-9(16)5-11(15)13(18)20/h1-6H,7,16H2,(H,17,19)
InChIKeyIWXNPXAYXVPFPI-UHFFFAOYSA-N
MW401.06 g/mol
LogP2.59
Rot. Bonds3

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

2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide (PubChem CID 80501784) has the molecular formula C13H11Br2N3O2 and a molecular weight of 401.06 g/mol. Its IUPAC name is 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide
PubChem CID80501784
Molecular FormulaC13H11Br2N3O2
Molecular Weight401.06 g/mol
Exact Mass398.92
IUPAC Name2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide
SMILESNc1cc(Br)c(=O)n(CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C13H11Br2N3O2/c14-8-1-3-10(4-2-8)17-12(19)7-18-6-9(16)5-11(15)13(18)20/h1-6H,7,16H2,(H,17,19)
InChIKeyIWXNPXAYXVPFPI-UHFFFAOYSA-N
XLogP2.59
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.06
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-tert-butylacetamide
CID 80501712
2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80501744
N-(4-bromophenyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624275
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-iodophenyl)acetamide
CID 26217273
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 66308143
2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 114935756
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
N-(4-bromophenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]acetamide
CID 98304311
S-[2-(4-bromoanilino)-2-oxoethyl] carbamothioate
CID 873458
5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 113365829

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide (CID 80501784) is 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide is Nc1cc(Br)c(=O)n(CC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide?
The InChIKey is IWXNPXAYXVPFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O2/c14-8-1-3-10(4-2-8)17-12(19)7-18-6-9(16)5-11(15)13(18)20/h1-6H,7,16H2,(H,17,19).
What are the key properties of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide?
2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide has a molecular weight of 401.06 g/mol, XLogP of 2.59, 3 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-(4-bromophenyl)acetamide is sourced from PubChem (CID 80501784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).