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

C15H17ClN4O2 — CID 109114007

IUPAC6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(Cl)cc2C)nn1
InChIInChI=1S/C15H17ClN4O2/c1-10-9-11(16)3-4-12(10)18-14-6-5-13(19-20-14)15(21)17-7-8-22-2/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBGZINGFFMXCMLY-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.56
Rot. Bonds6

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

6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide (PubChem CID 109114007) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
PubChem CID109114007
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(Cl)cc2C)nn1
InChIInChI=1S/C15H17ClN4O2/c1-10-9-11(16)3-4-12(10)18-14-6-5-13(19-20-14)15(21)17-7-8-22-2/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBGZINGFFMXCMLY-UHFFFAOYSA-N
XLogP2.56
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114369
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide
CID 109109379
5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227744
6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114069
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114435
N-benzyl-6-(5-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109117923
N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128908
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
CID 109109386

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide (CID 109114007) is 6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide is COCCNC(=O)c1ccc(Nc2ccc(Cl)cc2C)nn1.
What is the InChIKey of 6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The InChIKey is BGZINGFFMXCMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-10-9-11(16)3-4-12(10)18-14-6-5-13(19-20-14)15(21)17-7-8-22-2/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).