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

C23H25N5O2 — CID 7593156

IUPACN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)COc4ccccc4)c3)nn2)CC1
InChIInChI=1S/C23H25N5O2/c1-27-12-14-28(15-13-27)22-11-10-21(25-26-22)18-6-5-7-19(16-18)24-23(29)17-30-20-8-3-2-4-9-20/h2-11,16H,12-15,17H2,1H3,(H,24,29)
InChIKeySTMONZKXTMQUDL-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.91
Rot. Bonds6

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

N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide (PubChem CID 7593156) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
PubChem CID7593156
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)COc4ccccc4)c3)nn2)CC1
InChIInChI=1S/C23H25N5O2/c1-27-12-14-28(15-13-27)22-11-10-21(25-26-22)18-6-5-7-19(16-18)24-23(29)17-30-20-8-3-2-4-9-20/h2-11,16H,12-15,17H2,1H3,(H,24,29)
InChIKeySTMONZKXTMQUDL-UHFFFAOYSA-N
XLogP2.91
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide (CID 7593156) is N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide is CN1CCN(c2ccc(-c3cccc(NC(=O)COc4ccccc4)c3)nn2)CC1.
What is the InChIKey of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is STMONZKXTMQUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27-12-14-28(15-13-27)22-11-10-21(25-26-22)18-6-5-7-19(16-18)24-23(29)17-30-20-8-3-2-4-9-20/h2-11,16H,12-15,17H2,1H3,(H,24,29).
What are the key properties of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide?
N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 403.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 7593156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).