3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

C20H28N4O3 — CID 46372556

IUPAC3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(C2=NN(CCC(=O)NCCN3CCOCC3)C(=O)CC2)cc1
InChIInChI=1S/C20H28N4O3/c1-16-2-4-17(5-3-16)18-6-7-20(26)24(22-18)10-8-19(25)21-9-11-23-12-14-27-15-13-23/h2-5H,6-15H2,1H3,(H,21,25)
InChIKeyAOWDSJJVVCEMJO-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.16
Rot. Bonds7

About 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 46372556) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID46372556
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(C2=NN(CCC(=O)NCCN3CCOCC3)C(=O)CC2)cc1
InChIInChI=1S/C20H28N4O3/c1-16-2-4-17(5-3-16)18-6-7-20(26)24(22-18)10-8-19(25)21-9-11-23-12-14-27-15-13-23/h2-5H,6-15H2,1H3,(H,21,25)
InChIKeyAOWDSJJVVCEMJO-UHFFFAOYSA-N
XLogP1.16
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46372550
N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46372560
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968351
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
4-methyl-4-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pentanamide
CID 110305480
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 4582591
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016591
N-(3-morpholin-4-ylpropyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55347239
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
CID 71688703

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 46372556) is 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is Cc1ccc(C2=NN(CCC(=O)NCCN3CCOCC3)C(=O)CC2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is AOWDSJJVVCEMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-16-2-4-17(5-3-16)18-6-7-20(26)24(22-18)10-8-19(25)21-9-11-23-12-14-27-15-13-23/h2-5H,6-15H2,1H3,(H,21,25).
What are the key properties of 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 46372556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).