3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid

C15H15N3O6 — CID 108785229

IUPAC3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
SMILESCOc1ccccc1-n1nc(C(=O)NCCC(=O)O)c(O)cc1=O
InChIInChI=1S/C15H15N3O6/c1-24-11-5-3-2-4-9(11)18-12(20)8-10(19)14(17-18)15(23)16-7-6-13(21)22/h2-5,8,19H,6-7H2,1H3,(H,16,23)(H,21,22)
InChIKeyIQXFXNDESMXHGP-UHFFFAOYSA-N
MW333.30 g/mol
LogP0.15
Rot. Bonds6

About 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid

3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid (PubChem CID 108785229) has the molecular formula C15H15N3O6 and a molecular weight of 333.30 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
PubChem CID108785229
Molecular FormulaC15H15N3O6
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
SMILESCOc1ccccc1-n1nc(C(=O)NCCC(=O)O)c(O)cc1=O
InChIInChI=1S/C15H15N3O6/c1-24-11-5-3-2-4-9(11)18-12(20)8-10(19)14(17-18)15(23)16-7-6-13(21)22/h2-5,8,19H,6-7H2,1H3,(H,16,23)(H,21,22)
InChIKeyIQXFXNDESMXHGP-UHFFFAOYSA-N
XLogP0.15
TPSA130.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

N-[4-(diethylamino)butyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785323
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785217
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433
N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798547
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 108785234
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785235

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid (CID 108785229) is 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid is COc1ccccc1-n1nc(C(=O)NCCC(=O)O)c(O)cc1=O.
What is the InChIKey of 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid?
The InChIKey is IQXFXNDESMXHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6/c1-24-11-5-3-2-4-9(11)18-12(20)8-10(19)14(17-18)15(23)16-7-6-13(21)22/h2-5,8,19H,6-7H2,1H3,(H,16,23)(H,21,22).
What are the key properties of 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid?
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid has a molecular weight of 333.30 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 108785229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).