6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide

C17H21ClN4O3 — CID 109114435

IUPAC6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2cc(C)c(Cl)cc2OC)nn1
InChIInChI=1S/C17H21ClN4O3/c1-11-9-14(15(25-3)10-12(11)18)20-16-6-5-13(21-22-16)17(23)19-7-4-8-24-2/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyWAUSEIMACJEHFE-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.96
Rot. Bonds8

About 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide

6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide (PubChem CID 109114435) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
PubChem CID109114435
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2cc(C)c(Cl)cc2OC)nn1
InChIInChI=1S/C17H21ClN4O3/c1-11-9-14(15(25-3)10-12(11)18)20-16-6-5-13(21-22-16)17(23)19-7-4-8-24-2/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyWAUSEIMACJEHFE-UHFFFAOYSA-N
XLogP2.96
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)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

6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114369
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121501
6-(4-chloro-2,5-dimethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109384
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128448
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251840
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109130116
6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114007
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114381
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128978
6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 109126727

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide (CID 109114435) is 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide is COCCCNC(=O)c1ccc(Nc2cc(C)c(Cl)cc2OC)nn1.
What is the InChIKey of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The InChIKey is WAUSEIMACJEHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-11-9-14(15(25-3)10-12(11)18)20-16-6-5-13(21-22-16)17(23)19-7-4-8-24-2/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).