N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide

C12H11N3O4 — CID 103600732

IUPACN-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1O
InChIInChI=1S/C12H11N3O4/c1-19-10-4-2-7(6-9(10)16)13-12(18)8-3-5-11(17)15-14-8/h2-6,16H,1H3,(H,13,18)(H,15,17)
InChIKeyGBUGHSVUYLQILI-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.74
Rot. Bonds3

About N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103600732) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103600732
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1O
InChIInChI=1S/C12H11N3O4/c1-19-10-4-2-7(6-9(10)16)13-12(18)8-3-5-11(17)15-14-8/h2-6,16H,1H3,(H,13,18)(H,15,17)
InChIKeyGBUGHSVUYLQILI-UHFFFAOYSA-N
XLogP0.74
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 47416715
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887187
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
CID 86975908
4-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103600732) is N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GBUGHSVUYLQILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-19-10-4-2-7(6-9(10)16)13-12(18)8-3-5-11(17)15-14-8/h2-6,16H,1H3,(H,13,18)(H,15,17).
What are the key properties of N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103600732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).