3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide

C16H18ClN3O3 — CID 3244988

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C16H18ClN3O3/c1-23-11-9-18-15(21)8-10-20-16(22)7-6-14(19-20)12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyTXYBWAIWXXIESB-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.72
Rot. Bonds7

About 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 3244988) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID3244988
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C16H18ClN3O3/c1-23-11-9-18-15(21)8-10-20-16(22)7-6-14(19-20)12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyTXYBWAIWXXIESB-UHFFFAOYSA-N
XLogP1.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.72
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-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
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3665845
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-[3-(4-Chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-[1,4]dioxan-2-ylmethyl-acetamide
CID 24792340
N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 3550183
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 3617297
N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 5046316
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-methoxypropyl)propanamide
CID 5046318
N-isopropyl-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 5077402
Methyl (3-(4-chlorophenyl)-6-oxo-1(6H)-pyridazinyl)acetate
CID 40488795

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide (CID 3244988) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is TXYBWAIWXXIESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-23-11-9-18-15(21)8-10-20-16(22)7-6-14(19-20)12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3,(H,18,21).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 335.79 g/mol, XLogP of 1.72, 7 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-(2-methoxyethyl)propanamide is sourced from PubChem (CID 3244988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).