N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide

C20H17ClN4O2 — CID 109128908

IUPACN-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Nc3ccc(Cl)cc3C)nn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-12-10-15(21)6-7-17(12)23-19-9-8-18(24-25-19)20(27)22-16-5-3-4-14(11-16)13(2)26/h3-11H,1-2H3,(H,22,27)(H,23,25)
InChIKeyWFIMPZVRKXTZEV-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.64
Rot. Bonds5

About N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide

N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide (PubChem CID 109128908) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
PubChem CID109128908
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Nc3ccc(Cl)cc3C)nn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-12-10-15(21)6-7-17(12)23-19-9-8-18(24-25-19)20(27)22-16-5-3-4-14(11-16)13(2)26/h3-11H,1-2H3,(H,22,27)(H,23,25)
InChIKeyWFIMPZVRKXTZEV-UHFFFAOYSA-N
XLogP4.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-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

N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127587
methyl 3-[[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128865
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
N-(3-acetylphenyl)-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337269
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
methyl 3-[[6-(4-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128748
N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163578
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide (CID 109128908) is N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(Nc3ccc(Cl)cc3C)nn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide?
The InChIKey is WFIMPZVRKXTZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-12-10-15(21)6-7-17(12)23-19-9-8-18(24-25-19)20(27)22-16-5-3-4-14(11-16)13(2)26/h3-11H,1-2H3,(H,22,27)(H,23,25).
What are the key properties of N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide?
N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).