4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

C19H16N4O6 — CID 108785165

IUPAC4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2cccc(C)c2)c(=O)cc1O
InChIInChI=1S/C19H16N4O6/c1-11-4-3-5-12(8-11)22-17(25)10-15(24)18(21-22)19(26)20-14-9-13(23(27)28)6-7-16(14)29-2/h3-10,24H,1-2H3,(H,20,26)
InChIKeyMWZCEWUKCGOTDS-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.42
Rot. Bonds5

About 4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108785165) has the molecular formula C19H16N4O6 and a molecular weight of 396.36 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID108785165
Molecular FormulaC19H16N4O6
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC Name4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2cccc(C)c2)c(=O)cc1O
InChIInChI=1S/C19H16N4O6/c1-11-4-3-5-12(8-11)22-17(25)10-15(24)18(21-22)19(26)20-14-9-13(23(27)28)6-7-16(14)29-2/h3-10,24H,1-2H3,(H,20,26)
InChIKeyMWZCEWUKCGOTDS-UHFFFAOYSA-N
XLogP2.42
TPSA136.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-4-hydroxy-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 108803884
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 108784965
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785157
4-methoxy-N-(2-methyl-4-nitrophenyl)-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554830
N-(2-methoxy-5-nitrophenyl)-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 46253954
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 108785020
4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785145
2-hydroxy-5-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798252
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553640
N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55394131

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 108785165) is 4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2cccc(C)c2)c(=O)cc1O.
What is the InChIKey of 4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MWZCEWUKCGOTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O6/c1-11-4-3-5-12(8-11)22-17(25)10-15(24)18(21-22)19(26)20-14-9-13(23(27)28)6-7-16(14)29-2/h3-10,24H,1-2H3,(H,20,26).
What are the key properties of 4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 396.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108785165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).