3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide

C26H30N4O4 — CID 41077549

IUPAC3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc(OC)c1OC
InChIInChI=1S/C26H30N4O4/c1-17-10-12-30(13-11-17)24-9-8-21(28-29-24)18-6-5-7-20(14-18)27-26(31)19-15-22(32-2)25(34-4)23(16-19)33-3/h5-9,14-17H,10-13H2,1-4H3,(H,27,31)
InChIKeyUTGIPVJUMYUXOK-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.66
Rot. Bonds7

About 3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide

3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide (PubChem CID 41077549) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
PubChem CID41077549
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc(OC)c1OC
InChIInChI=1S/C26H30N4O4/c1-17-10-12-30(13-11-17)24-9-8-21(28-29-24)18-6-5-7-20(14-18)27-26(31)19-15-22(32-2)25(34-4)23(16-19)33-3/h5-9,14-17H,10-13H2,1-4H3,(H,27,31)
InChIKeyUTGIPVJUMYUXOK-UHFFFAOYSA-N
XLogP4.66
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43991300
3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077581
2-(3,5-dimethoxyphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991495
2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593239
2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077570
2,2,2-trifluoro-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 7422385
2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991488
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
1-(4-ethoxyphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991571
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43991523
2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991479
2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991501

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide (CID 41077549) is 3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide is COc1cc(C(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The InChIKey is UTGIPVJUMYUXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17-10-12-30(13-11-17)24-9-8-21(28-29-24)18-6-5-7-20(14-18)27-26(31)19-15-22(32-2)25(34-4)23(16-19)33-3/h5-9,14-17H,10-13H2,1-4H3,(H,27,31).
What are the key properties of 3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide has a molecular weight of 462.55 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide is sourced from PubChem (CID 41077549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).