6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide

C13H12ClN3O — CID 60859186

IUPAC6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H12ClN3O/c1-2-9-5-3-4-6-10(9)15-13(18)11-7-8-12(14)17-16-11/h3-8H,2H2,1H3,(H,15,18)
InChIKeyHCAHQGJQUIXMGW-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.94
Rot. Bonds3

About 6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide

6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide (PubChem CID 60859186) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
PubChem CID60859186
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H12ClN3O/c1-2-9-5-3-4-6-10(9)15-13(18)11-7-8-12(14)17-16-11/h3-8H,2H2,1H3,(H,15,18)
InChIKeyHCAHQGJQUIXMGW-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042896
6-chloro-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 54927074
6-chloro-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 60859833
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 109127942
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422
N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
CID 45497225
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 54944461
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124209

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide (CID 60859186) is 6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide is CCc1ccccc1NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide?
The InChIKey is HCAHQGJQUIXMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-2-9-5-3-4-6-10(9)15-13(18)11-7-8-12(14)17-16-11/h3-8H,2H2,1H3,(H,15,18).
What are the key properties of 6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide?
6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 60859186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).