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

C16H19N3O4 — CID 110737899

IUPAC3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)nn2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O4/c1-10-5-6-12(19-18-10)9-17-16(20)11-7-13(21-2)15(23-4)14(8-11)22-3/h5-8H,9H2,1-4H3,(H,17,20)
InChIKeyIAZJVBSNNTZPAF-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.74
Rot. Bonds6

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

3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide (PubChem CID 110737899) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide
PubChem CID110737899
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)nn2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O4/c1-10-5-6-12(19-18-10)9-17-16(20)11-7-13(21-2)15(23-4)14(8-11)22-3/h5-8H,9H2,1-4H3,(H,17,20)
InChIKeyIAZJVBSNNTZPAF-UHFFFAOYSA-N
XLogP1.74
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]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

3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209
N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737862
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867498
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethoxybenzamide
CID 110783214
N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 110182047
3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368276
3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443343

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide (CID 110737899) is 3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide is COc1cc(C(=O)NCc2ccc(C)nn2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide?
The InChIKey is IAZJVBSNNTZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-5-6-12(19-18-10)9-17-16(20)11-7-13(21-2)15(23-4)14(8-11)22-3/h5-8H,9H2,1-4H3,(H,17,20).
What are the key properties of 3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide has a molecular weight of 317.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide is sourced from PubChem (CID 110737899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).