N-(2,4-dimethylphenyl)pyridazine-3-carboxamide

C13H13N3O — CID 110857188

IUPACN-(2,4-dimethylphenyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnn2)c(C)c1
InChIInChI=1S/C13H13N3O/c1-9-5-6-11(10(2)8-9)15-13(17)12-4-3-7-14-16-12/h3-8H,1-2H3,(H,15,17)
InChIKeyBLZJPESXXZXMFR-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.35
Rot. Bonds2

About N-(2,4-dimethylphenyl)pyridazine-3-carboxamide

N-(2,4-dimethylphenyl)pyridazine-3-carboxamide (PubChem CID 110857188) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)pyridazine-3-carboxamide
PubChem CID110857188
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(2,4-dimethylphenyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnn2)c(C)c1
InChIInChI=1S/C13H13N3O/c1-9-5-6-11(10(2)8-9)15-13(17)12-4-3-7-14-16-12/h3-8H,1-2H3,(H,15,17)
InChIKeyBLZJPESXXZXMFR-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)pyridazine-3-carboxamide
CID 23633019
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
6-(dimethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 84575312
N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide
CID 110859766
N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865070
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118046
N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005087
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)pyridazine-3-carboxamide (CID 110857188) is N-(2,4-dimethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2cccnn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)pyridazine-3-carboxamide?
The InChIKey is BLZJPESXXZXMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-5-6-11(10(2)8-9)15-13(17)12-4-3-7-14-16-12/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-(2,4-dimethylphenyl)pyridazine-3-carboxamide?
N-(2,4-dimethylphenyl)pyridazine-3-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 110857188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).