N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H12BrN3O2 — CID 60730194

IUPACN-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=NNC(=O)CC2)cc1Br
InChIInChI=1S/C12H12BrN3O2/c1-7-2-3-8(6-9(7)13)14-12(18)10-4-5-11(17)16-15-10/h2-3,6H,4-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyBIEBBRGWDGTWDM-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.96
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60730194) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60730194
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC NameN-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=NNC(=O)CC2)cc1Br
InChIInChI=1S/C12H12BrN3O2/c1-7-2-3-8(6-9(7)13)14-12(18)10-4-5-11(17)16-15-10/h2-3,6H,4-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyBIEBBRGWDGTWDM-UHFFFAOYSA-N
XLogP1.96
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromo-4-methylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203280
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110668240
N-naphthalen-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3328290
N-(3-chloro-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4539970
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397568
N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 22107791
N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60638334
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43400509
6-oxo-N-(3-pyrrolidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934157
6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110667794

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60730194) is N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1ccc(NC(=O)C2=NNC(=O)CC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is BIEBBRGWDGTWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-7-2-3-8(6-9(7)13)14-12(18)10-4-5-11(17)16-15-10/h2-3,6H,4-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60730194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).