methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate

C16H16FN3O3 — CID 166342391

IUPACmethyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate
SMILESCOC(=O)C(c1cccc(F)c1)N(C)C(=O)c1nnccc1C
InChIInChI=1S/C16H16FN3O3/c1-10-7-8-18-19-13(10)15(21)20(2)14(16(22)23-3)11-5-4-6-12(17)9-11/h4-9,14H,1-3H3
InChIKeyPXCZPIYCCLKOBF-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.91
Rot. Bonds4

About methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate

methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate (PubChem CID 166342391) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate
PubChem CID166342391
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Namemethyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate
SMILESCOC(=O)C(c1cccc(F)c1)N(C)C(=O)c1nnccc1C
InChIInChI=1S/C16H16FN3O3/c1-10-7-8-18-19-13(10)15(21)20(2)14(16(22)23-3)11-5-4-6-12(17)9-11/h4-9,14H,1-3H3
InChIKeyPXCZPIYCCLKOBF-UHFFFAOYSA-N
XLogP1.91
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate (CID 166342391) is methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate is COC(=O)C(c1cccc(F)c1)N(C)C(=O)c1nnccc1C.
What is the InChIKey of methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate?
The InChIKey is PXCZPIYCCLKOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-10-7-8-18-19-13(10)15(21)20(2)14(16(22)23-3)11-5-4-6-12(17)9-11/h4-9,14H,1-3H3.
What are the key properties of methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate?
methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate has a molecular weight of 317.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 166342391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).