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

C18H23BrN4O — CID 113045186

IUPAC2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide
SMILESCCCN(CCC)c1ccc(NC(=O)Cc2ccc(Br)cc2)nn1
InChIInChI=1S/C18H23BrN4O/c1-3-11-23(12-4-2)17-10-9-16(21-22-17)20-18(24)13-14-5-7-15(19)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,20,21,24)
InChIKeyBZZQTBUXLMICRG-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.05
Rot. Bonds8

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

2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide (PubChem CID 113045186) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide
PubChem CID113045186
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC Name2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide
SMILESCCCN(CCC)c1ccc(NC(=O)Cc2ccc(Br)cc2)nn1
InChIInChI=1S/C18H23BrN4O/c1-3-11-23(12-4-2)17-10-9-16(21-22-17)20-18(24)13-14-5-7-15(19)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,20,21,24)
InChIKeyBZZQTBUXLMICRG-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide
CID 113045158
2-(4-bromophenyl)-N-[6-(dipropylamino)-3-pyridinyl]acetamide
CID 113015729
2-(4-chlorophenyl)-N-[6-(diethylamino)pyridazin-3-yl]acetamide
CID 113043990
2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
CID 113037981
N-[6-(dipropylamino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113045161
1-cyclopropyl-3-[6-(dipropylamino)pyridazin-3-yl]urea
CID 113045192
N-[6-(dipropylamino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045130
N-[6-(dipropylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113045135
N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045169
N-[6-(dipropylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113045149
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
CID 113045170

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide (CID 113045186) is 2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide is CCCN(CCC)c1ccc(NC(=O)Cc2ccc(Br)cc2)nn1.
What is the InChIKey of 2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide?
The InChIKey is BZZQTBUXLMICRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-3-11-23(12-4-2)17-10-9-16(21-22-17)20-18(24)13-14-5-7-15(19)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,20,21,24).
What are the key properties of 2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide?
2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide has a molecular weight of 391.31 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113045186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).