N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

C18H21N5O3 — CID 113040480

IUPACN-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCN(C=O)CC3)nn2)cc1
InChIInChI=1S/C18H21N5O3/c1-14-2-4-15(5-3-14)26-12-18(25)19-16-6-7-17(21-20-16)23-10-8-22(13-24)9-11-23/h2-7,13H,8-12H2,1H3,(H,19,20,25)
InChIKeyQYWSOBULVADGLW-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.08
Rot. Bonds6

About N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 113040480) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID113040480
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCN(C=O)CC3)nn2)cc1
InChIInChI=1S/C18H21N5O3/c1-14-2-4-15(5-3-14)26-12-18(25)19-16-6-7-17(21-20-16)23-10-8-22(13-24)9-11-23/h2-7,13H,8-12H2,1H3,(H,19,20,25)
InChIKeyQYWSOBULVADGLW-UHFFFAOYSA-N
XLogP1.08
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
CID 113038736
2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039221
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122351375
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046517
2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992887
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide
CID 113040477
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122334054
6-[[2-(4-methylphenoxy)acetyl]amino]pyridine-3-carboxylic acid
CID 61319402

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (CID 113040480) is N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C=O)CC3)nn2)cc1.
What is the InChIKey of N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is QYWSOBULVADGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-14-2-4-15(5-3-14)26-12-18(25)19-16-6-7-17(21-20-16)23-10-8-22(13-24)9-11-23/h2-7,13H,8-12H2,1H3,(H,19,20,25).
What are the key properties of N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 355.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113040480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).