1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide

C17H13N3O4 — CID 178130114

IUPAC1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1nn(-c2ccccc2O)ccc1=O
InChIInChI=1S/C17H13N3O4/c21-12-5-3-4-11(10-12)18-17(24)16-15(23)8-9-20(19-16)13-6-1-2-7-14(13)22/h1-10,21-22H,(H,18,24)
InChIKeyXZDUPOYZDKDKMX-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide

1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 178130114) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID178130114
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1nn(-c2ccccc2O)ccc1=O
InChIInChI=1S/C17H13N3O4/c21-12-5-3-4-11(10-12)18-17(24)16-15(23)8-9-20(19-16)13-6-1-2-7-14(13)22/h1-10,21-22H,(H,18,24)
InChIKeyXZDUPOYZDKDKMX-UHFFFAOYSA-N
XLogP1.90
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 178130115
4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266964
3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 739737
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9072335
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
N-(3-hydroxyphenyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 6459181
6-methyl-N-(3-methylphenyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8871596
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 32638790
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
N-(3-ethynylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 18147874

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide (CID 178130114) is 1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide is O=C(Nc1cccc(O)c1)c1nn(-c2ccccc2O)ccc1=O.
What is the InChIKey of 1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is XZDUPOYZDKDKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-12-5-3-4-11(10-12)18-17(24)16-15(23)8-9-20(19-16)13-6-1-2-7-14(13)22/h1-10,21-22H,(H,18,24).
What are the key properties of 1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide?
1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 178130114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).