3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide

C13H13N3O3 — CID 145134299

IUPAC3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide
SMILESCOc1ccc(=O)n(Cc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C13H13N3O3/c1-19-11-5-6-12(17)16(15-11)8-9-3-2-4-10(7-9)13(14)18/h2-7H,8H2,1H3,(H2,14,18)
InChIKeyPWQGJOMFXFVTAA-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.40
Rot. Bonds4

About 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide

3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide (PubChem CID 145134299) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide
PubChem CID145134299
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide
SMILESCOc1ccc(=O)n(Cc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C13H13N3O3/c1-19-11-5-6-12(17)16(15-11)8-9-3-2-4-10(7-9)13(14)18/h2-7H,8H2,1H3,(H2,14,18)
InChIKeyPWQGJOMFXFVTAA-UHFFFAOYSA-N
XLogP0.40
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
CID 113340193
6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061863
2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061918
3-[(6-oxopyrimidin-1-yl)methyl]benzamide
CID 113257340
3-[[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-6-oxopyridazin-1-yl]methyl]benzoic acid
CID 122445440
2-[[3-(aminomethyl)-2-fluorophenyl]methyl]-6-methoxypyridazin-3-one
CID 107113943
3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
CID 28564635
4-[(3-methoxy-6-oxopyridazin-1-yl)methyl]-3-methylbenzoic acid
CID 105062208
1-[(3-carbamoylphenyl)methyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643384
3-[(5-methyltetrazol-2-yl)methyl]benzamide
CID 59058879
methyl 3-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]benzoate
CID 90332934
6-methoxy-2-[2-(3-nitrophenyl)-2-oxoethyl]pyridazin-3-one
CID 105061887

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide?
The IUPAC name of 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide (CID 145134299) is 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide?
The canonical SMILES for 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide is COc1ccc(=O)n(Cc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide?
The InChIKey is PWQGJOMFXFVTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-11-5-6-12(17)16(15-11)8-9-3-2-4-10(7-9)13(14)18/h2-7H,8H2,1H3,(H2,14,18).
What are the key properties of 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide?
3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide has a molecular weight of 259.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide is sourced from PubChem (CID 145134299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).