N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H9BrN4O2 — CID 107800366

IUPACN-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESN#Cc1ccc(Br)cc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H9BrN4O2/c13-8-2-1-7(6-14)10(5-8)15-12(19)9-3-4-11(18)17-16-9/h1-2,5H,3-4H2,(H,15,19)(H,17,18)
InChIKeyYWEKXWRAWDJARG-UHFFFAOYSA-N
MW321.13 g/mol
LogP1.53
Rot. Bonds2

About N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 107800366) has the molecular formula C12H9BrN4O2 and a molecular weight of 321.13 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID107800366
Molecular FormulaC12H9BrN4O2
Molecular Weight321.13 g/mol
Exact Mass319.99
IUPAC NameN-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESN#Cc1ccc(Br)cc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H9BrN4O2/c13-8-2-1-7(6-14)10(5-8)15-12(19)9-3-4-11(18)17-16-9/h1-2,5H,3-4H2,(H,15,19)(H,17,18)
InChIKeyYWEKXWRAWDJARG-UHFFFAOYSA-N
XLogP1.53
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43582884
N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 82016159
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
N-(5-carbamoyl-2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273727
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
CID 107801633
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
5-iodo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 63111270

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 107800366) is N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is N#Cc1ccc(Br)cc1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is YWEKXWRAWDJARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O2/c13-8-2-1-7(6-14)10(5-8)15-12(19)9-3-4-11(18)17-16-9/h1-2,5H,3-4H2,(H,15,19)(H,17,18).
What are the key properties of N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 321.13 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 107800366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).