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

C23H23BrN4O — CID 41077570

IUPAC2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCC1CCN(c2ccc(-c3cccc(NC(=O)c4ccccc4Br)c3)nn2)CC1
InChIInChI=1S/C23H23BrN4O/c1-16-11-13-28(14-12-16)22-10-9-21(26-27-22)17-5-4-6-18(15-17)25-23(29)19-7-2-3-8-20(19)24/h2-10,15-16H,11-14H2,1H3,(H,25,29)
InChIKeyMWWZWPKQPLKULB-UHFFFAOYSA-N
MW451.37 g/mol
LogP5.39
Rot. Bonds4

About 2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide

2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide (PubChem CID 41077570) has the molecular formula C23H23BrN4O and a molecular weight of 451.37 g/mol. Its IUPAC name is 2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
PubChem CID41077570
Molecular FormulaC23H23BrN4O
Molecular Weight451.37 g/mol
Exact Mass450.11
IUPAC Name2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCC1CCN(c2ccc(-c3cccc(NC(=O)c4ccccc4Br)c3)nn2)CC1
InChIInChI=1S/C23H23BrN4O/c1-16-11-13-28(14-12-16)22-10-9-21(26-27-22)17-5-4-6-18(15-17)25-23(29)19-7-2-3-8-20(19)24/h2-10,15-16H,11-14H2,1H3,(H,25,29)
InChIKeyMWWZWPKQPLKULB-UHFFFAOYSA-N
XLogP5.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.37
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 41077710
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
2,2,2-trifluoro-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 7422385
1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991572
3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077549
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43991523
2-iodo-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077662
2-bromo-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41078004
2-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 7422407
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537
2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991488

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide (CID 41077570) is 2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide is CC1CCN(c2ccc(-c3cccc(NC(=O)c4ccccc4Br)c3)nn2)CC1.
What is the InChIKey of 2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The InChIKey is MWWZWPKQPLKULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O/c1-16-11-13-28(14-12-16)22-10-9-21(26-27-22)17-5-4-6-18(15-17)25-23(29)19-7-2-3-8-20(19)24/h2-10,15-16H,11-14H2,1H3,(H,25,29).
What are the key properties of 2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide?
2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide has a molecular weight of 451.37 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide is sourced from PubChem (CID 41077570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).