3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide

C16H15Br2N3O3 — CID 55951719

IUPAC3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H15Br2N3O3/c17-11-1-4-13(5-2-11)20-14(22)7-8-19-15(23)10-21-9-12(18)3-6-16(21)24/h1-6,9H,7-8,10H2,(H,19,23)(H,20,22)
InChIKeyHTUFIAQEWDKRLV-UHFFFAOYSA-N
MW457.12 g/mol
LogP2.52
Rot. Bonds6

About 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide

3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide (PubChem CID 55951719) has the molecular formula C16H15Br2N3O3 and a molecular weight of 457.12 g/mol. Its IUPAC name is 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide.

Molecular Properties

Compound Name3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide
PubChem CID55951719
Molecular FormulaC16H15Br2N3O3
Molecular Weight457.12 g/mol
Exact Mass454.95
IUPAC Name3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H15Br2N3O3/c17-11-1-4-13(5-2-11)20-14(22)7-8-19-15(23)10-21-9-12(18)3-6-16(21)24/h1-6,9H,7-8,10H2,(H,19,23)(H,20,22)
InChIKeyHTUFIAQEWDKRLV-UHFFFAOYSA-N
XLogP2.52
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.12
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-iodophenyl)acetamide
CID 26217273
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide
CID 78815021
(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006601
methyl 7-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]heptanoate
CID 86979311
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465461
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenoxyethyl)acetamide
CID 51209692
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32609841
N-(4-bromophenyl)-3-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]propanamide
CID 55951076
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
CID 119739150

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide?
The IUPAC name of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide (CID 55951719) is 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide.
What is the SMILES notation for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide?
The canonical SMILES for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide is O=C(Cn1cc(Br)ccc1=O)NCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide?
The InChIKey is HTUFIAQEWDKRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N3O3/c17-11-1-4-13(5-2-11)20-14(22)7-8-19-15(23)10-21-9-12(18)3-6-16(21)24/h1-6,9H,7-8,10H2,(H,19,23)(H,20,22).
What are the key properties of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide?
3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide has a molecular weight of 457.12 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide is sourced from PubChem (CID 55951719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).