2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C20H26N4O3 — CID 20968345

IUPAC2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ccc(C2=NN(CC(=O)NCCCN3CCCC3=O)C(=O)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-15-5-7-16(8-6-15)17-9-10-20(27)24(22-17)14-18(25)21-11-3-13-23-12-2-4-19(23)26/h5-8H,2-4,9-14H2,1H3,(H,21,25)
InChIKeyVTVOQMTZODIFSH-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.45
Rot. Bonds7

About 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 20968345) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID20968345
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ccc(C2=NN(CC(=O)NCCCN3CCCC3=O)C(=O)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-15-5-7-16(8-6-15)17-9-10-20(27)24(22-17)14-18(25)21-11-3-13-23-12-2-4-19(23)26/h5-8H,2-4,9-14H2,1H3,(H,21,25)
InChIKeyVTVOQMTZODIFSH-UHFFFAOYSA-N
XLogP1.45
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968351
N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46372560
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 92715204
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 35499280
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 12005350
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968221
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 71841482
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
N-[2-(dimethylamino)ethyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15998522
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N-(4-methylphenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide
CID 53091004

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 20968345) is 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1ccc(C2=NN(CC(=O)NCCCN3CCCC3=O)C(=O)CC2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is VTVOQMTZODIFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15-5-7-16(8-6-15)17-9-10-20(27)24(22-17)14-18(25)21-11-3-13-23-12-2-4-19(23)26/h5-8H,2-4,9-14H2,1H3,(H,21,25).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 20968345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).