2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid

C14H15N3O4 — CID 43358512

IUPAC2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
SMILESCN1N=C(C(=O)Nc2ccc(CC(=O)O)cc2)CCC1=O
InChIInChI=1S/C14H15N3O4/c1-17-12(18)7-6-11(16-17)14(21)15-10-4-2-9(3-5-10)8-13(19)20/h2-5H,6-8H2,1H3,(H,15,21)(H,19,20)
InChIKeyNDADIGDJOFXTAX-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.86
Rot. Bonds4

About 2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid

2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 43358512) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
PubChem CID43358512
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
SMILESCN1N=C(C(=O)Nc2ccc(CC(=O)O)cc2)CCC1=O
InChIInChI=1S/C14H15N3O4/c1-17-12(18)7-6-11(16-17)14(21)15-10-4-2-9(3-5-10)8-13(19)20/h2-5H,6-8H2,1H3,(H,15,21)(H,19,20)
InChIKeyNDADIGDJOFXTAX-UHFFFAOYSA-N
XLogP0.86
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 129467697
1-methyl-N-[4-(methylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24524831
2-methyl-2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 119254235
N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34802438
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42315406
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24575694
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55947174
2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid
CID 110467839
1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4877035
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 28790887
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39280398

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid (CID 43358512) is 2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid is CN1N=C(C(=O)Nc2ccc(CC(=O)O)cc2)CCC1=O.
What is the InChIKey of 2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is NDADIGDJOFXTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-17-12(18)7-6-11(16-17)14(21)15-10-4-2-9(3-5-10)8-13(19)20/h2-5H,6-8H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid?
2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 43358512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).