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

C13H13N3O4 — CID 62536488

IUPAC2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H13N3O4/c17-11-6-5-10(15-16-11)13(20)14-9-4-2-1-3-8(9)7-12(18)19/h1-4H,5-7H2,(H,14,20)(H,16,17)(H,18,19)
InChIKeyLGOGWYHWCBZGTL-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.52
Rot. Bonds4

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

2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 62536488) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
PubChem CID62536488
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H13N3O4/c17-11-6-5-10(15-16-11)13(20)14-9-4-2-1-3-8(9)7-12(18)19/h1-4H,5-7H2,(H,14,20)(H,16,17)(H,18,19)
InChIKeyLGOGWYHWCBZGTL-UHFFFAOYSA-N
XLogP0.52
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60659704
N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113351750
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
N-(2-morpholin-4-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 2815283
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 43351344
5-iodo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 63111270
N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397568
N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43582884
3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 51078597
N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63260416
N-(5-carbamoyl-2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273727

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid (CID 62536488) is 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is LGOGWYHWCBZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-11-6-5-10(15-16-11)13(20)14-9-4-2-1-3-8(9)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]phenyl]acetic acid?
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 275.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62536488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).