methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate

C20H17N3O5 — CID 49033446

IUPACmethyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c1
InChIInChI=1S/C20H17N3O5/c1-27-19(25)12-28-16-7-3-5-14(11-16)20(26)21-15-6-2-4-13(10-15)17-8-9-18(24)23-22-17/h2-11H,12H2,1H3,(H,21,26)(H,23,24)
InChIKeyFMYSIVZBZKDVOF-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.24
Rot. Bonds6

About methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate

methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate (PubChem CID 49033446) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
PubChem CID49033446
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Namemethyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c1
InChIInChI=1S/C20H17N3O5/c1-27-19(25)12-28-16-7-3-5-14(11-16)20(26)21-15-6-2-4-13(10-15)17-8-9-18(24)23-22-17/h2-11H,12H2,1H3,(H,21,26)(H,23,24)
InChIKeyFMYSIVZBZKDVOF-UHFFFAOYSA-N
XLogP2.24
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 49033817
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 49033929
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
ethyl [4-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenyl] carbonate
CID 108769827
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
3-chloro-4-ethoxy-5-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034999
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108769888

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate (CID 49033446) is methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate is COC(=O)COc1cccc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c1.
What is the InChIKey of methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate?
The InChIKey is FMYSIVZBZKDVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-27-19(25)12-28-16-7-3-5-14(11-16)20(26)21-15-6-2-4-13(10-15)17-8-9-18(24)23-22-17/h2-11H,12H2,1H3,(H,21,26)(H,23,24).
What are the key properties of methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate?
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate has a molecular weight of 379.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate is sourced from PubChem (CID 49033446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).