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

C19H17BrN4O — CID 113045862

IUPAC2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
SMILESCc1ccc(Nc2ccc(NC(=O)Cc3ccccc3Br)nn2)cc1
InChIInChI=1S/C19H17BrN4O/c1-13-6-8-15(9-7-13)21-17-10-11-18(24-23-17)22-19(25)12-14-4-2-3-5-16(14)20/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyFEYAJJCIMMQACN-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.47
Rot. Bonds5

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

2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide (PubChem CID 113045862) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
PubChem CID113045862
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
SMILESCc1ccc(Nc2ccc(NC(=O)Cc3ccccc3Br)nn2)cc1
InChIInChI=1S/C19H17BrN4O/c1-13-6-8-15(9-7-13)21-17-10-11-18(24-23-17)22-19(25)12-14-4-2-3-5-16(14)20/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyFEYAJJCIMMQACN-UHFFFAOYSA-N
XLogP4.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
CID 113031585
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113050061
2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide
CID 113044304
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
methyl 4-[[6-[[2-(2-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049497
methyl 4-[[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049499
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113042022
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113051664
2-(2-bromophenyl)-N-[6-(ethylamino)-3-pyridinyl]acetamide
CID 115268604
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide (CID 113045862) is 2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide is Cc1ccc(Nc2ccc(NC(=O)Cc3ccccc3Br)nn2)cc1.
What is the InChIKey of 2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide?
The InChIKey is FEYAJJCIMMQACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-6-8-15(9-7-13)21-17-10-11-18(24-23-17)22-19(25)12-14-4-2-3-5-16(14)20/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of 2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide?
2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide has a molecular weight of 397.28 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113045862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).