2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C19H25ClN4O3 — CID 20968205

IUPAC2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCOCC1
InChIInChI=1S/C19H25ClN4O3/c20-16-4-2-15(3-5-16)17-6-7-19(26)24(22-17)14-18(25)21-8-1-9-23-10-12-27-13-11-23/h2-5H,1,6-14H2,(H,21,25)
InChIKeyRRBVFGUBENQVQZ-UHFFFAOYSA-N
MW392.89 g/mol
LogP1.50
Rot. Bonds7

About 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 20968205) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID20968205
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCOCC1
InChIInChI=1S/C19H25ClN4O3/c20-16-4-2-15(3-5-16)17-6-7-19(26)24(22-17)14-18(25)21-8-1-9-23-10-12-27-13-11-23/h2-5H,1,6-14H2,(H,21,25)
InChIKeyRRBVFGUBENQVQZ-UHFFFAOYSA-N
XLogP1.50
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 6889750
ethyl [3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetate
CID 6624390
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 6375481
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 16034248
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[3-(diisobutylamino)propyl]acetamide
CID 16034255
N-{3-[butyl(methyl)amino]propyl}-2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968222
N-[3-(Morpholin-4-YL)propyl]-3-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-YL)propanamide
CID 24789938
2-[3-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[2-(morpholin-4-YL)ethyl]acetamide
CID 4422325
3-[3-(4-Methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[3-(morpholin-4-YL)propyl]propanamide
CID 16001611
N-[2-(4-Chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]acetamide
CID 16034256

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 20968205) is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is RRBVFGUBENQVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c20-16-4-2-15(3-5-16)17-6-7-19(26)24(22-17)14-18(25)21-8-1-9-23-10-12-27-13-11-23/h2-5H,1,6-14H2,(H,21,25).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 392.89 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 20968205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).