6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide

C20H20N4O3 — CID 109123429

IUPAC6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccccc3)nn2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-17-10-8-14(12-18(17)27-2)13-21-19-11-9-16(23-24-19)20(25)22-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDAXQZBYYVNAIGV-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.36
Rot. Bonds7

About 6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide

6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide (PubChem CID 109123429) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
PubChem CID109123429
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccccc3)nn2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-17-10-8-14(12-18(17)27-2)13-21-19-11-9-16(23-24-19)20(25)22-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDAXQZBYYVNAIGV-UHFFFAOYSA-N
XLogP3.36
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121525
6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
CID 133313960
N-(3-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120235
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 133435107
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118309
6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 109126727
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide (CID 109123429) is 6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide is COc1ccc(CNc2ccc(C(=O)Nc3ccccc3)nn2)cc1OC.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is DAXQZBYYVNAIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-10-8-14(12-18(17)27-2)13-21-19-11-9-16(23-24-19)20(25)22-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide?
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109123429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).