N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide

C15H17ClN4O — CID 113045233

IUPACN-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C15H17ClN4O/c1-2-15(21)18-14-7-6-13(19-20-14)17-9-8-11-4-3-5-12(16)10-11/h3-7,10H,2,8-9H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyWXXSZLJEFZLESA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.13
Rot. Bonds6

About N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide

N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide (PubChem CID 113045233) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
PubChem CID113045233
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C15H17ClN4O/c1-2-15(21)18-14-7-6-13(19-20-14)17-9-8-11-4-3-5-12(16)10-11/h3-7,10H,2,8-9H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyWXXSZLJEFZLESA-UHFFFAOYSA-N
XLogP3.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
CID 113045279
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113043251
6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118859
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109126313
N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122361
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113031036
3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326910
N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109273196

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide (CID 113045233) is N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(NCCc2cccc(Cl)c2)nn1.
What is the InChIKey of N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide?
The InChIKey is WXXSZLJEFZLESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-2-15(21)18-14-7-6-13(19-20-14)17-9-8-11-4-3-5-12(16)10-11/h3-7,10H,2,8-9H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide?
N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide is sourced from PubChem (CID 113045233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).