2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide

C15H17BrN4O — CID 113037981

IUPAC2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
SMILESCC(C)Nc1ccc(NC(=O)Cc2ccc(Br)cc2)nn1
InChIInChI=1S/C15H17BrN4O/c1-10(2)17-13-7-8-14(20-19-13)18-15(21)9-11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyBOGSLXBZIUOSLP-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide

2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide (PubChem CID 113037981) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
PubChem CID113037981
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
SMILESCC(C)Nc1ccc(NC(=O)Cc2ccc(Br)cc2)nn1
InChIInChI=1S/C15H17BrN4O/c1-10(2)17-13-7-8-14(20-19-13)18-15(21)9-11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyBOGSLXBZIUOSLP-UHFFFAOYSA-N
XLogP3.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
CID 113037948
2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide
CID 113045186
2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535381
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
2-(4-bromophenyl)-N-[4-(1-hydroxyethyl)phenyl]acetamide
CID 91676875
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide
CID 114310589
2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7299572
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113050061

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide (CID 113037981) is 2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide is CC(C)Nc1ccc(NC(=O)Cc2ccc(Br)cc2)nn1.
What is the InChIKey of 2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide?
The InChIKey is BOGSLXBZIUOSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10(2)17-13-7-8-14(20-19-13)18-15(21)9-11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of 2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide?
2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113037981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).