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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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).