6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide

C15H17ClN4O — CID 109124438

IUPAC6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H17ClN4O/c1-3-20(4-2)15(21)13-9-10-14(19-18-13)17-12-7-5-11(16)6-8-12/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyJSJRQVLAAHFOPY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.36
Rot. Bonds5

About 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide

6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide (PubChem CID 109124438) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
PubChem CID109124438
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H17ClN4O/c1-3-20(4-2)15(21)13-9-10-14(19-18-13)17-12-7-5-11(16)6-8-12/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyJSJRQVLAAHFOPY-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124462
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126267
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109124434
6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126266
6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124439
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109124468
N-ethyl-6-(methylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62168964

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide (CID 109124438) is 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide?
The InChIKey is JSJRQVLAAHFOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-20(4-2)15(21)13-9-10-14(19-18-13)17-12-7-5-11(16)6-8-12/h5-10H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide?
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide is sourced from PubChem (CID 109124438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).