N-(3,4-dicyanophenyl)pyridazine-4-carboxamide

C13H7N5O — CID 103944391

IUPACN-(3,4-dicyanophenyl)pyridazine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnnc2)cc1C#N
InChIInChI=1S/C13H7N5O/c14-6-9-1-2-12(5-11(9)7-15)18-13(19)10-3-4-16-17-8-10/h1-5,8H,(H,18,19)
InChIKeyYKRCTAHXZLUTRJ-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.47
Rot. Bonds2

About N-(3,4-dicyanophenyl)pyridazine-4-carboxamide

N-(3,4-dicyanophenyl)pyridazine-4-carboxamide (PubChem CID 103944391) has the molecular formula C13H7N5O and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)pyridazine-4-carboxamide
PubChem CID103944391
Molecular FormulaC13H7N5O
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN-(3,4-dicyanophenyl)pyridazine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnnc2)cc1C#N
InChIInChI=1S/C13H7N5O/c14-6-9-1-2-12(5-11(9)7-15)18-13(19)10-3-4-16-17-8-10/h1-5,8H,(H,18,19)
InChIKeyYKRCTAHXZLUTRJ-UHFFFAOYSA-N
XLogP1.47
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
CID 103944403
N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 75517629
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-(3,4-dicyanophenyl)acetamide
CID 12938829
N-(3,4-dicyanophenyl)-2-(methylamino)benzamide
CID 107791441
N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 141478664
N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide
CID 141478692
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
N-(4-methoxy-3-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742535
5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid
CID 104669628
N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
CID 106491133

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(3,4-dicyanophenyl)pyridazine-4-carboxamide (CID 103944391) is N-(3,4-dicyanophenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(3,4-dicyanophenyl)pyridazine-4-carboxamide is N#Cc1ccc(NC(=O)c2ccnnc2)cc1C#N.
What is the InChIKey of N-(3,4-dicyanophenyl)pyridazine-4-carboxamide?
The InChIKey is YKRCTAHXZLUTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5O/c14-6-9-1-2-12(5-11(9)7-15)18-13(19)10-3-4-16-17-8-10/h1-5,8H,(H,18,19).
What are the key properties of N-(3,4-dicyanophenyl)pyridazine-4-carboxamide?
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 103944391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).