3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide

C16H21N3O4 — CID 70392561

IUPAC3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
SMILESCOCCNC(=O)c1ccc(C2=NNC(=O)CC2C)c(OC)c1
InChIInChI=1S/C16H21N3O4/c1-10-8-14(20)18-19-15(10)12-5-4-11(9-13(12)23-3)16(21)17-6-7-22-2/h4-5,9-10H,6-8H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyPWVJLBXFCPMUMR-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.93
Rot. Bonds6

About 3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide

3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide (PubChem CID 70392561) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
PubChem CID70392561
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
SMILESCOCCNC(=O)c1ccc(C2=NNC(=O)CC2C)c(OC)c1
InChIInChI=1S/C16H21N3O4/c1-10-8-14(20)18-19-15(10)12-5-4-11(9-13(12)23-3)16(21)17-6-7-22-2/h4-5,9-10H,6-8H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyPWVJLBXFCPMUMR-UHFFFAOYSA-N
XLogP0.93
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137377989
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide
CID 142992517
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
CID 106245135
3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide
CID 71448798
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052609

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide (CID 70392561) is 3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide is COCCNC(=O)c1ccc(C2=NNC(=O)CC2C)c(OC)c1.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The InChIKey is PWVJLBXFCPMUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10-8-14(20)18-19-15(10)12-5-4-11(9-13(12)23-3)16(21)17-6-7-22-2/h4-5,9-10H,6-8H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 70392561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).