N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C25H29N5O2 — CID 55841099

IUPACN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCN1CCN(Cc2ccc(CNC(=O)Cn3nc(-c4ccccc4)ccc3=O)cc2)CC1
InChIInChI=1S/C25H29N5O2/c1-28-13-15-29(16-14-28)18-21-9-7-20(8-10-21)17-26-24(31)19-30-25(32)12-11-23(27-30)22-5-3-2-4-6-22/h2-12H,13-19H2,1H3,(H,26,31)
InChIKeyPBNDTKPNWOIJSS-UHFFFAOYSA-N
MW431.54 g/mol
LogP1.97
Rot. Bonds7

About N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 55841099) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID55841099
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCN1CCN(Cc2ccc(CNC(=O)Cn3nc(-c4ccccc4)ccc3=O)cc2)CC1
InChIInChI=1S/C25H29N5O2/c1-28-13-15-29(16-14-28)18-21-9-7-20(8-10-21)17-26-24(31)19-30-25(32)12-11-23(27-30)22-5-3-2-4-6-22/h2-12H,13-19H2,1H3,(H,26,31)
InChIKeyPBNDTKPNWOIJSS-UHFFFAOYSA-N
XLogP1.97
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide with MolForge

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55874219
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659751
4-[[[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]methyl]benzoic acid
CID 53370001
3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 51366020
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121050677
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 55841099) is N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CN1CCN(Cc2ccc(CNC(=O)Cn3nc(-c4ccccc4)ccc3=O)cc2)CC1.
What is the InChIKey of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is PBNDTKPNWOIJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-28-13-15-29(16-14-28)18-21-9-7-20(8-10-21)17-26-24(31)19-30-25(32)12-11-23(27-30)22-5-3-2-4-6-22/h2-12H,13-19H2,1H3,(H,26,31).
What are the key properties of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 431.54 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 55841099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).