methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate

C16H17N3O5 — CID 91938956

IUPACmethyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O
InChIInChI=1S/C16H17N3O5/c1-23-12-8-14(21)19(10-13(20)17-9-15(22)24-2)18-16(12)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,17,20)
InChIKeyJLRNOGRWKJCGDP-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.21
Rot. Bonds6

About methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate

methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate (PubChem CID 91938956) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
PubChem CID91938956
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Namemethyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O
InChIInChI=1S/C16H17N3O5/c1-23-12-8-14(21)19(10-13(20)17-9-15(22)24-2)18-16(12)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,17,20)
InChIKeyJLRNOGRWKJCGDP-UHFFFAOYSA-N
XLogP0.21
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate with MolForge

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Related Compounds

N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938943
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938934
2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71830904
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938931
2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one
CID 97458800
3-[[2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 91954798
N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 91954627
2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97458821
methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate
CID 122233963
2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71830886
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate (CID 91938956) is methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O.
What is the InChIKey of methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate?
The InChIKey is JLRNOGRWKJCGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-23-12-8-14(21)19(10-13(20)17-9-15(22)24-2)18-16(12)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,17,20).
What are the key properties of methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate?
methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate has a molecular weight of 331.33 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 91938956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).