3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide

C21H30N4O4 — CID 46372706

IUPAC3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCOc1ccc(C2=NN(CCC(=O)NCCCN3CCOCC3)C(=O)CC2)cc1
InChIInChI=1S/C21H30N4O4/c1-28-18-5-3-17(4-6-18)19-7-8-21(27)25(23-19)12-9-20(26)22-10-2-11-24-13-15-29-16-14-24/h3-6H,2,7-16H2,1H3,(H,22,26)
InChIKeyGUZIFEVUTBKZKS-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.25
Rot. Bonds9

About 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide

3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 46372706) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID46372706
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCOc1ccc(C2=NN(CCC(=O)NCCCN3CCOCC3)C(=O)CC2)cc1
InChIInChI=1S/C21H30N4O4/c1-28-18-5-3-17(4-6-18)19-7-8-21(27)25(23-19)12-9-20(26)22-10-2-11-24-13-15-29-16-14-24/h3-6H,2,7-16H2,1H3,(H,22,26)
InChIKeyGUZIFEVUTBKZKS-UHFFFAOYSA-N
XLogP1.25
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 46372706) is 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide is COc1ccc(C2=NN(CCC(=O)NCCCN3CCOCC3)C(=O)CC2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is GUZIFEVUTBKZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-28-18-5-3-17(4-6-18)19-7-8-21(27)25(23-19)12-9-20(26)22-10-2-11-24-13-15-29-16-14-24/h3-6H,2,7-16H2,1H3,(H,22,26).
What are the key properties of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 402.50 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 46372706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).