3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide

C20H21N5O4 — CID 113042222

IUPAC3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCc3ccncc3)nn2)cc(OC)c1OC
InChIInChI=1S/C20H21N5O4/c1-27-15-10-14(11-16(28-2)19(15)29-3)20(26)23-18-5-4-17(24-25-18)22-12-13-6-8-21-9-7-13/h4-11H,12H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyJLTXIUPHICJCTK-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.76
Rot. Bonds8

About 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide

3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide (PubChem CID 113042222) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide
PubChem CID113042222
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCc3ccncc3)nn2)cc(OC)c1OC
InChIInChI=1S/C20H21N5O4/c1-27-15-10-14(11-16(28-2)19(15)29-3)20(26)23-18-5-4-17(24-25-18)22-12-13-6-8-21-9-7-13/h4-11H,12H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyJLTXIUPHICJCTK-UHFFFAOYSA-N
XLogP2.76
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
CID 113038340
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044532
3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121317
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109172063
3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide
CID 113042195

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide (CID 113042222) is 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide is COc1cc(C(=O)Nc2ccc(NCc3ccncc3)nn2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide?
The InChIKey is JLTXIUPHICJCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-27-15-10-14(11-16(28-2)19(15)29-3)20(26)23-18-5-4-17(24-25-18)22-12-13-6-8-21-9-7-13/h4-11H,12H2,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide?
3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide has a molecular weight of 395.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113042222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).