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

C21H22N4O4 — CID 109120232

IUPACN-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)nn2)cc1
InChIInChI=1S/C21H22N4O4/c1-27-16-7-4-14(5-8-16)13-22-20-11-9-17(24-25-20)21(26)23-15-6-10-18(28-2)19(12-15)29-3/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMPJXJEFTIJRDLQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.37
Rot. Bonds8

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

N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109120232) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109120232
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)nn2)cc1
InChIInChI=1S/C21H22N4O4/c1-27-16-7-4-14(5-8-16)13-22-20-11-9-17(24-25-20)21(26)23-15-6-10-18(28-2)19(12-15)29-3/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMPJXJEFTIJRDLQ-UHFFFAOYSA-N
XLogP3.37
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530
N-(3-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120235
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120227
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121317
6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124776
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629
N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122508

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide (CID 109120232) is N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide is COc1ccc(CNc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)nn2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is MPJXJEFTIJRDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-27-16-7-4-14(5-8-16)13-22-20-11-9-17(24-25-20)21(26)23-15-6-10-18(28-2)19(12-15)29-3/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109120232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).