3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide

C24H26N4O — CID 41077581

IUPAC3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c1
InChIInChI=1S/C24H26N4O/c1-17-11-13-28(14-12-17)23-10-9-22(26-27-23)19-6-4-8-21(16-19)25-24(29)20-7-3-5-18(2)15-20/h3-10,15-17H,11-14H2,1-2H3,(H,25,29)
InChIKeyMSPBIKBIJHXOMW-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.94
Rot. Bonds4

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

3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide (PubChem CID 41077581) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
PubChem CID41077581
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c1
InChIInChI=1S/C24H26N4O/c1-17-11-13-28(14-12-17)23-10-9-22(26-27-23)19-6-4-8-21(16-19)25-24(29)20-7-3-5-18(2)15-20/h3-10,15-17H,11-14H2,1-2H3,(H,25,29)
InChIKeyMSPBIKBIJHXOMW-UHFFFAOYSA-N
XLogP4.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43991300
3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077549
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
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441
1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991572
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide
CID 25301822
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43991523
1-(2,4-dichlorophenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991595
1-(4-ethoxyphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991571

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide (CID 41077581) is 3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The InChIKey is MSPBIKBIJHXOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-11-13-28(14-12-17)23-10-9-22(26-27-23)19-6-4-8-21(16-19)25-24(29)20-7-3-5-18(2)15-20/h3-10,15-17H,11-14H2,1-2H3,(H,25,29).
What are the key properties of 3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide is sourced from PubChem (CID 41077581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).