2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid

C13H13N3O5 — CID 63747208

IUPAC2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H13N3O5/c17-11-6-5-9(15-16-11)13(20)14-8-3-1-2-4-10(8)21-7-12(18)19/h1-4H,5-7H2,(H,14,20)(H,16,17)(H,18,19)
InChIKeyKOKZUYCUDGOEKG-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.35
Rot. Bonds5

About 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid

2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid (PubChem CID 63747208) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
PubChem CID63747208
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H13N3O5/c17-11-6-5-9(15-16-11)13(20)14-8-3-1-2-4-10(8)21-7-12(18)19/h1-4H,5-7H2,(H,14,20)(H,16,17)(H,18,19)
InChIKeyKOKZUYCUDGOEKG-UHFFFAOYSA-N
XLogP0.35
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934176
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43402110
N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 46951715
[2-oxo-2-(2-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203184
2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 63746870
6-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258857
N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113351750
2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
CID 22554
6-oxo-N-(2-pyrazol-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61276124
N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258347
6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60659704

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid (CID 63747208) is 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is KOKZUYCUDGOEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c17-11-6-5-9(15-16-11)13(20)14-8-3-1-2-4-10(8)21-7-12(18)19/h1-4H,5-7H2,(H,14,20)(H,16,17)(H,18,19).
What are the key properties of 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid?
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 291.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 63747208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).