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

C17H21N3O3 — CID 3550183

IUPACN-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCOCCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C17H21N3O3/c1-13-3-5-14(6-4-13)15-7-8-17(22)20(19-15)11-9-16(21)18-10-12-23-2/h3-8H,9-12H2,1-2H3,(H,18,21)
InChIKeyXAVQNAJTXPKSNG-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.37
Rot. Bonds7

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

N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 3550183) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID3550183
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCOCCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C17H21N3O3/c1-13-3-5-14(6-4-13)15-7-8-17(22)20(19-15)11-9-16(21)18-10-12-23-2/h3-8H,9-12H2,1-2H3,(H,18,21)
InChIKeyXAVQNAJTXPKSNG-UHFFFAOYSA-N
XLogP1.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.37
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

Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate
CID 3245279
N-(3-morpholin-4-ylpropyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 4060999
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3236319
N-butyl-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3239462
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-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3243756
2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide
CID 3245998
3-[3-(4-Methylphenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[2-(4-methylphenyl)ethyl]propanamide
CID 4144039
N-{2-[butyl(methyl)amino]ethyl}-3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 4177567

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 3550183) is N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide is COCCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is XAVQNAJTXPKSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13-3-5-14(6-4-13)15-7-8-17(22)20(19-15)11-9-16(21)18-10-12-23-2/h3-8H,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 315.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 3550183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).