4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide

C21H21N3O3 — CID 108784965

IUPAC4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccccc3C(C)C)c(O)cc2=O)c1
InChIInChI=1S/C21H21N3O3/c1-13(2)16-9-4-5-10-17(16)22-21(27)20-18(25)12-19(26)24(23-20)15-8-6-7-14(3)11-15/h4-13,25H,1-3H3,(H,22,27)
InChIKeyBYANCGMOYIOGOO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.62
Rot. Bonds4

About 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide

4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 108784965) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID108784965
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccccc3C(C)C)c(O)cc2=O)c1
InChIInChI=1S/C21H21N3O3/c1-13(2)16-9-4-5-10-17(16)22-21(27)20-18(25)12-19(26)24(23-20)15-8-6-7-14(3)11-15/h4-13,25H,1-3H3,(H,22,27)
InChIKeyBYANCGMOYIOGOO-UHFFFAOYSA-N
XLogP3.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785157
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 108785020
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
2-hydroxy-5-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798252
4-hydroxy-1-(3-methylphenyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-6-oxopyridazine-3-carboxamide
CID 108809208
4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 108798296
4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785165
2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]pentanedioic acid
CID 108785089
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798395
4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 108809192
2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
CID 108785094
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide
CID 108785018

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 108784965) is 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccccc3C(C)C)c(O)cc2=O)c1.
What is the InChIKey of 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is BYANCGMOYIOGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13(2)16-9-4-5-10-17(16)22-21(27)20-18(25)12-19(26)24(23-20)15-8-6-7-14(3)11-15/h4-13,25H,1-3H3,(H,22,27).
What are the key properties of 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 108784965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).