N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide

C18H15N3O4 — CID 8553640

IUPACN-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1O
InChIInChI=1S/C18H15N3O4/c1-25-15-11-16(23)21(12-7-3-2-4-8-12)20-17(15)18(24)19-13-9-5-6-10-14(13)22/h2-11,22H,1H3,(H,19,24)
InChIKeyBSSFYMCDFAODEU-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.20
Rot. Bonds4

About N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide

N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 8553640) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID8553640
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1O
InChIInChI=1S/C18H15N3O4/c1-25-15-11-16(23)21(12-7-3-2-4-8-12)20-17(15)18(24)19-13-9-5-6-10-14(13)22/h2-11,22H,1H3,(H,19,24)
InChIKeyBSSFYMCDFAODEU-UHFFFAOYSA-N
XLogP2.20
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151
N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 26842143
4-methoxy-6-oxo-1-phenyl-N-propylpyridazine-3-carboxamide
CID 8553881
N-(5-chloro-2-hydroxyphenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8556036
N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557124
N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8552987
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557159
N-[(4-chlorophenyl)methyl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553924
N-(4-fluoro-3-nitrophenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553999
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557166
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[(1S)-1-phenylethyl]pyridazine-3-carboxamide
CID 8556306

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide (CID 8553640) is N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide is COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is BSSFYMCDFAODEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-25-15-11-16(23)21(12-7-3-2-4-8-12)20-17(15)18(24)19-13-9-5-6-10-14(13)22/h2-11,22H,1H3,(H,19,24).
What are the key properties of N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 8553640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).