3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide

C21H22N4O4 — CID 56919633

IUPAC3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-13-5-10-19(25-24-13)22-15-6-8-16(9-7-15)23-21(26)14-11-17(27-2)20(29-4)18(12-14)28-3/h5-12H,1-4H3,(H,22,25)(H,23,26)
InChIKeyLWTOXMYEGQFQAV-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.81
Rot. Bonds7

About 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide

3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide (PubChem CID 56919633) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
PubChem CID56919633
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-13-5-10-19(25-24-13)22-15-6-8-16(9-7-15)23-21(26)14-11-17(27-2)20(29-4)18(12-14)28-3/h5-12H,1-4H3,(H,22,25)(H,23,26)
InChIKeyLWTOXMYEGQFQAV-UHFFFAOYSA-N
XLogP3.81
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide (CID 56919633) is 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide is COc1cc(C(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
The InChIKey is LWTOXMYEGQFQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-5-10-19(25-24-13)22-15-6-8-16(9-7-15)23-21(26)14-11-17(27-2)20(29-4)18(12-14)28-3/h5-12H,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 56919633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).