2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide

C20H20N4O4 — CID 113048302

IUPAC2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3c(OC)cccc3OC)nn2)cc1
InChIInChI=1S/C20H20N4O4/c1-26-14-9-7-13(8-10-14)21-17-11-12-18(24-23-17)22-20(25)19-15(27-2)5-4-6-16(19)28-3/h4-12H,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyMNOSXIFWWBRWBL-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.50
Rot. Bonds7

About 2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide

2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide (PubChem CID 113048302) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
PubChem CID113048302
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3c(OC)cccc3OC)nn2)cc1
InChIInChI=1S/C20H20N4O4/c1-26-14-9-7-13(8-10-14)21-17-11-12-18(24-23-17)22-20(25)19-15(27-2)5-4-6-16(19)28-3/h4-12H,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyMNOSXIFWWBRWBL-UHFFFAOYSA-N
XLogP3.50
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019504
N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
CID 113048288
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048339
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
CID 113048284
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide (CID 113048302) is 2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide is COc1ccc(Nc2ccc(NC(=O)c3c(OC)cccc3OC)nn2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide?
The InChIKey is MNOSXIFWWBRWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-26-14-9-7-13(8-10-14)21-17-11-12-18(24-23-17)22-20(25)19-15(27-2)5-4-6-16(19)28-3/h4-12H,1-3H3,(H,21,23)(H,22,24,25).
What are the key properties of 2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide?
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide has a molecular weight of 380.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113048302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).