N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide

C23H25N5O — CID 7593151

IUPACN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)Cc4ccccc4)c3)nn2)CC1
InChIInChI=1S/C23H25N5O/c1-27-12-14-28(15-13-27)22-11-10-21(25-26-22)19-8-5-9-20(17-19)24-23(29)16-18-6-3-2-4-7-18/h2-11,17H,12-16H2,1H3,(H,24,29)
InChIKeyXVJPIJGRCZBPPO-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.08
Rot. Bonds5

About N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide

N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide (PubChem CID 7593151) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide
PubChem CID7593151
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)Cc4ccccc4)c3)nn2)CC1
InChIInChI=1S/C23H25N5O/c1-27-12-14-28(15-13-27)22-11-10-21(25-26-22)19-8-5-9-20(17-19)24-23(29)16-18-6-3-2-4-7-18/h2-11,17H,12-16H2,1H3,(H,24,29)
InChIKeyXVJPIJGRCZBPPO-UHFFFAOYSA-N
XLogP3.08
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide
CID 43991392
(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
CID 7593177
2-iodo-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077662
2-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 7422407
2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439
2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992034
1-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 43992106
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,3-diphenylpropanamide
CID 43991321
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43991523
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide (CID 7593151) is N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide is CN1CCN(c2ccc(-c3cccc(NC(=O)Cc4ccccc4)c3)nn2)CC1.
What is the InChIKey of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide?
The InChIKey is XVJPIJGRCZBPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27-12-14-28(15-13-27)22-11-10-21(25-26-22)19-8-5-9-20(17-19)24-23(29)16-18-6-3-2-4-7-18/h2-11,17H,12-16H2,1H3,(H,24,29).
What are the key properties of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide?
N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide has a molecular weight of 387.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 7593151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).