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

C20H27N5O2 — CID 3235823

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCN1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1
InChIInChI=1S/C20H27N5O2/c1-23-12-14-24(15-13-23)11-5-10-21-19(26)16-25-20(27)9-8-18(22-25)17-6-3-2-4-7-17/h2-4,6-9H,5,10-16H2,1H3,(H,21,26)
InChIKeyXFHRPEDJJSKHQA-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.66
Rot. Bonds7

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

N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 3235823) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID3235823
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCN1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1
InChIInChI=1S/C20H27N5O2/c1-23-12-14-24(15-13-23)11-5-10-21-19(26)16-25-20(27)9-8-18(22-25)17-6-3-2-4-7-17/h2-4,6-9H,5,10-16H2,1H3,(H,21,26)
InChIKeyXFHRPEDJJSKHQA-UHFFFAOYSA-N
XLogP0.66
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
2-(2-Oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 5057198
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295263
N-(3-morpholin-4-ylpropyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 4060999
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
(Z)-N-[1-Methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-acrylamide
CID 9699567
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
Isamfazone
CID 68753
5-Methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one
CID 66510155
N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3236319
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
ethyl 4-[3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanoyl]piperazine-1-carboxylate
CID 3236640

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 3235823) is N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CN1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is XFHRPEDJJSKHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-23-12-14-24(15-13-23)11-5-10-21-19(26)16-25-20(27)9-8-18(22-25)17-6-3-2-4-7-17/h2-4,6-9H,5,10-16H2,1H3,(H,21,26).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 3235823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).