3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide

C20H27ClN4O2 — CID 5046060

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide
SMILESCCN(CC)CCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C20H27ClN4O2/c1-3-24(4-2)14-5-13-22-19(26)12-15-25-20(27)11-10-18(23-25)16-6-8-17(21)9-7-16/h6-11H,3-5,12-15H2,1-2H3,(H,22,26)
InChIKeyZBUBHGCESKZSGT-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.80
Rot. Bonds10

About 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide (PubChem CID 5046060) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide
PubChem CID5046060
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide
SMILESCCN(CC)CCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C20H27ClN4O2/c1-3-24(4-2)14-5-13-22-19(26)12-15-25-20(27)11-10-18(23-25)16-6-8-17(21)9-7-16/h6-11H,3-5,12-15H2,1-2H3,(H,22,26)
InChIKeyZBUBHGCESKZSGT-UHFFFAOYSA-N
XLogP2.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.80
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-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
N-butyl-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3239462
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
N-(3-azepan-1-ylpropyl)-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3241002
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3242957
N-{3-[butyl(methyl)amino]propyl}-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3243725
N-{2-[butyl(methyl)amino]ethyl}-3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 4177567
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(1-phenylethyl)propanamide
CID 5046315
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[3-(diisobutylamino)propyl]acetamide
CID 16034255
3-(6-oxo-3-phenylpyridazin-1(6H)-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 16193578
N-{3-[butyl(methyl)amino]propyl}-2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968222
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 3617297

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide (CID 5046060) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide is CCN(CC)CCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide?
The InChIKey is ZBUBHGCESKZSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2/c1-3-24(4-2)14-5-13-22-19(26)12-15-25-20(27)11-10-18(23-25)16-6-8-17(21)9-7-16/h6-11H,3-5,12-15H2,1-2H3,(H,22,26).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide has a molecular weight of 390.92 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(diethylamino)propyl]propanamide is sourced from PubChem (CID 5046060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).