methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate

C16H16FN3O4 — CID 51054365

IUPACmethyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C16H16FN3O4/c1-24-16(23)8-9-18-14(21)10-20-15(22)7-6-13(19-20)11-2-4-12(17)5-3-11/h2-7H,8-10H2,1H3,(H,18,21)
InChIKeyPHPXQDVTELTARL-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.73
Rot. Bonds6

About methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate

methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate (PubChem CID 51054365) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
PubChem CID51054365
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Namemethyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C16H16FN3O4/c1-24-16(23)8-9-18-14(21)10-20-15(22)7-6-13(19-20)11-2-4-12(17)5-3-11/h2-7H,8-10H2,1H3,(H,18,21)
InChIKeyPHPXQDVTELTARL-UHFFFAOYSA-N
XLogP0.73
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate with MolForge

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Related Compounds

ethyl 2-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7664397
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516282
N-(2,6-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 43816144
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]butanoic acid
CID 51053004
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121033501
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063880

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate (CID 51054365) is methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate is COC(=O)CCNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate?
The InChIKey is PHPXQDVTELTARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c1-24-16(23)8-9-18-14(21)10-20-15(22)7-6-13(19-20)11-2-4-12(17)5-3-11/h2-7H,8-10H2,1H3,(H,18,21).
What are the key properties of methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate?
methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate has a molecular weight of 333.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate is sourced from PubChem (CID 51054365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).