2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide

C12H10Br2N4O2 — CID 59574387

IUPAC2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cn1ncc(Br)c(Br)c1=O)NCc1ccncc1
InChIInChI=1S/C12H10Br2N4O2/c13-9-6-17-18(12(20)11(9)14)7-10(19)16-5-8-1-3-15-4-2-8/h1-4,6H,5,7H2,(H,16,19)
InChIKeyBZWCGGIKVVPJNZ-UHFFFAOYSA-N
MW402.05 g/mol
LogP1.48
Rot. Bonds4

About 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 59574387) has the molecular formula C12H10Br2N4O2 and a molecular weight of 402.05 g/mol. Its IUPAC name is 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID59574387
Molecular FormulaC12H10Br2N4O2
Molecular Weight402.05 g/mol
Exact Mass399.92
IUPAC Name2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cn1ncc(Br)c(Br)c1=O)NCc1ccncc1
InChIInChI=1S/C12H10Br2N4O2/c13-9-6-17-18(12(20)11(9)14)7-10(19)16-5-8-1-3-15-4-2-8/h1-4,6H,5,7H2,(H,16,19)
InChIKeyBZWCGGIKVVPJNZ-UHFFFAOYSA-N
XLogP1.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.05
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-bromo-4-(cyclodecylamino)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 59574664
2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 59574376
2-[4-(2-bicyclo[2.2.1]heptanylamino)-5-bromo-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 70830950
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 31523139
2-[4-[2-(1-adamantyl)ethoxy]-5-bromo-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 59574243
2-[5-bromo-6-oxo-4-[(3,3,5-trimethylcyclohexyl)amino]pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 70830888
2-[5-bromo-4-[(1-hydroxy-2-adamantyl)amino]-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 59574270
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide
CID 43042752
cis-(2R,6S)-1,1,2,3,6-pentamethylcyclohexane;2-(4,5-diamino-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 143799816
2-[5-ethylsulfanyl-6-oxo-4-[[(1R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 143799908
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
2-[5-bromo-6-oxo-4-[[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]pyridazin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 59574488

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 59574387) is 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(Cn1ncc(Br)c(Br)c1=O)NCc1ccncc1.
What is the InChIKey of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is BZWCGGIKVVPJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N4O2/c13-9-6-17-18(12(20)11(9)14)7-10(19)16-5-8-1-3-15-4-2-8/h1-4,6H,5,7H2,(H,16,19).
What are the key properties of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 402.05 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 59574387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).