6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide

C20H21N5O2 — CID 109129399

IUPAC6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(N(C)C)cc3)nn2)cc1
InChIInChI=1S/C20H21N5O2/c1-25(2)16-8-4-14(5-9-16)21-19-13-12-18(23-24-19)20(26)22-15-6-10-17(27-3)11-7-15/h4-13H,1-3H3,(H,21,24)(H,22,26)
InChIKeyWQLONGUKQXOPSV-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.55
Rot. Bonds6

About 6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide

6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109129399) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
PubChem CID109129399
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(N(C)C)cc3)nn2)cc1
InChIInChI=1S/C20H21N5O2/c1-25(2)16-8-4-14(5-9-16)21-19-13-12-18(23-24-19)20(26)22-15-6-10-17(27-3)11-7-15/h4-13H,1-3H3,(H,21,24)(H,22,26)
InChIKeyWQLONGUKQXOPSV-UHFFFAOYSA-N
XLogP3.55
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129362
6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109129868
N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109128635
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide (CID 109129399) is 6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(N(C)C)cc3)nn2)cc1.
What is the InChIKey of 6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is WQLONGUKQXOPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25(2)16-8-4-14(5-9-16)21-19-13-12-18(23-24-19)20(26)22-15-6-10-17(27-3)11-7-15/h4-13H,1-3H3,(H,21,24)(H,22,26).
What are the key properties of 6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).