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

C16H18ClN3O2 — CID 42138718

IUPACN-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide
SMILESCCC(=O)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C16H18ClN3O2/c1-2-15(21)18-10-3-11-20-16(22)9-8-14(19-20)12-4-6-13(17)7-5-12/h4-9H,2-3,10-11H2,1H3,(H,18,21)
InChIKeyPELKIINFOGFWBV-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.48
Rot. Bonds6

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

N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide (PubChem CID 42138718) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide
PubChem CID42138718
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide
SMILESCCC(=O)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C16H18ClN3O2/c1-2-15(21)18-10-3-11-20-16(22)9-8-14(19-20)12-4-6-13(17)7-5-12/h4-9H,2-3,10-11H2,1H3,(H,18,21)
InChIKeyPELKIINFOGFWBV-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
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-[butyl(methyl)amino]propyl}-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3243725
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(1-phenylethyl)propanamide
CID 5046315
2-(4-Chloro-benzylidene-hydrazinocarbonyl)-N-cyclohexyl-acetamide
CID 9563178
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
2-(4-chlorobenzyl)-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]azepin-3(5H)-one
CID 45484673
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 N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
The IUPAC name of N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide (CID 42138718) is N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
The canonical SMILES for N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide is CCC(=O)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
The InChIKey is PELKIINFOGFWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-2-15(21)18-10-3-11-20-16(22)9-8-14(19-20)12-4-6-13(17)7-5-12/h4-9H,2-3,10-11H2,1H3,(H,18,21).
What are the key properties of N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide has a molecular weight of 319.79 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide is sourced from PubChem (CID 42138718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).