methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide

C40H34N10O8 — CID 160654521

IUPACmethyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide
SMILESCOC(=O)Cn1nc(-c2ccccn2)ccc1=O.O=C(Cn1nc(-c2ccccn2)ccc1=O)Nc1ccccc1.O=C(O)Cn1nc(-c2ccccn2)ccc1=O
InChIInChI=1S/C17H14N4O2.C12H11N3O3.C11H9N3O3/c22-16(19-13-6-2-1-3-7-13)12-21-17(23)10-9-15(20-21)14-8-4-5-11-18-14;1-18-12(17)8-15-11(16)6-5-10(14-15)9-4-2-3-7-13-9;15-10-5-4-9(8-3-1-2-6-12-8)13-14(10)7-11(16)17/h1-11H,12H2,(H,19,22);2-7H,8H2,1H3;1-6H,7H2,(H,16,17)
InChIKeyRKWIJORDMRORHZ-UHFFFAOYSA-N
MW782.77 g/mol
LogP2.81
Rot. Bonds10

About methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide

methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide (PubChem CID 160654521) has the molecular formula C40H34N10O8 and a molecular weight of 782.77 g/mol. Its IUPAC name is methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Namemethyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide
PubChem CID160654521
Molecular FormulaC40H34N10O8
Molecular Weight782.77 g/mol
Exact Mass782.26
IUPAC Namemethyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide
SMILESCOC(=O)Cn1nc(-c2ccccn2)ccc1=O.O=C(Cn1nc(-c2ccccn2)ccc1=O)Nc1ccccc1.O=C(O)Cn1nc(-c2ccccn2)ccc1=O
InChIInChI=1S/C17H14N4O2.C12H11N3O3.C11H9N3O3/c22-16(19-13-6-2-1-3-7-13)12-21-17(23)10-9-15(20-21)14-8-4-5-11-18-14;1-18-12(17)8-15-11(16)6-5-10(14-15)9-4-2-3-7-13-9;15-10-5-4-9(8-3-1-2-6-12-8)13-14(10)7-11(16)17/h1-11H,12H2,(H,19,22);2-7H,8H2,1H3;1-6H,7H2,(H,16,17)
InChIKeyRKWIJORDMRORHZ-UHFFFAOYSA-N
XLogP2.81
TPSA236.04 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.77
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide
CID 53157385
N-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662660
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
CID 7664191

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide?
The IUPAC name of methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide (CID 160654521) is methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide.
What is the SMILES notation for methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide?
The canonical SMILES for methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide is COC(=O)Cn1nc(-c2ccccn2)ccc1=O.O=C(Cn1nc(-c2ccccn2)ccc1=O)Nc1ccccc1.O=C(O)Cn1nc(-c2ccccn2)ccc1=O.
What is the InChIKey of methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide?
The InChIKey is RKWIJORDMRORHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2.C12H11N3O3.C11H9N3O3/c22-16(19-13-6-2-1-3-7-13)12-21-17(23)10-9-15(20-21)14-8-4-5-11-18-14;1-18-12(17)8-15-11(16)6-5-10(14-15)9-4-2-3-7-13-9;15-10-5-4-9(8-3-1-2-6-12-8)13-14(10)7-11(16)17/h1-11H,12H2,(H,19,22);2-7H,8H2,1H3;1-6H,7H2,(H,16,17).
What are the key properties of methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide?
methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide has a molecular weight of 782.77 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetate;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)acetic acid;2-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 160654521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).