N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide

C13H11ClN4O2 — CID 60859038

IUPACN-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)nn2)cc1
InChIInChI=1S/C13H11ClN4O2/c1-8(19)15-9-2-4-10(5-3-9)16-13(20)11-6-7-12(14)18-17-11/h2-7H,1H3,(H,15,19)(H,16,20)
InChIKeyCBOBTNDXIPQXOE-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.34
Rot. Bonds3

About N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide

N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide (PubChem CID 60859038) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
PubChem CID60859038
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC NameN-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)nn2)cc1
InChIInChI=1S/C13H11ClN4O2/c1-8(19)15-9-2-4-10(5-3-9)16-13(20)11-6-7-12(14)18-17-11/h2-7H,1H3,(H,15,19)(H,16,20)
InChIKeyCBOBTNDXIPQXOE-UHFFFAOYSA-N
XLogP2.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate
CID 61041834
6-chloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-3-carboxamide
CID 61237341
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide
CID 61042452
6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide
CID 60859843
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide
CID 61051510
6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 61249051
1-(6-chloropyridazin-3-yl)ethanone
CID 46835648
6-chloropyridazine-3-carbohydrazide
CID 10080848
6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide
CID 54927218

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide (CID 60859038) is N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)nn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide?
The InChIKey is CBOBTNDXIPQXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c1-8(19)15-9-2-4-10(5-3-9)16-13(20)11-6-7-12(14)18-17-11/h2-7H,1H3,(H,15,19)(H,16,20).
What are the key properties of N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide?
N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide is sourced from PubChem (CID 60859038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).