N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide

C15H17N3O2 — CID 136540655

IUPACN-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnnc2)c(O)c1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)11-4-5-12(13(19)8-11)18-14(20)10-6-7-16-17-9-10/h4-9,19H,1-3H3,(H,18,20)
InChIKeyCUQUCGXGBNGURG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.73
Rot. Bonds2

About N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide

N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide (PubChem CID 136540655) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide
PubChem CID136540655
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnnc2)c(O)c1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)11-4-5-12(13(19)8-11)18-14(20)10-6-7-16-17-9-10/h4-9,19H,1-3H3,(H,18,20)
InChIKeyCUQUCGXGBNGURG-UHFFFAOYSA-N
XLogP2.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-4-methylphenyl)nicotinamide
CID 753639
1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581064
1-(4-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide
CID 95935361
1-(2-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)-5-methylpyrazole-4-carboxamide
CID 133798764
N-(2-hydroxy-4-methylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 133973492
N-[2-hydroxy-4-(1-methylpropyl)phenyl]pyridine-3-carboxamide
CID 23987450
5-[(2-Hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid
CID 135750149
N-(4-tert-butyl-2-hydroxyphenyl)isonicotinamide
CID 58148107
N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide
CID 139518684
N-(4-amino-3-benzyl-2-hydroxyphenyl)pyridazine-4-carboxamide
CID 140854722
N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]pyridine-3-carboxamide
CID 1227048
N-[4-[(2S)-butan-2-yl]-2-hydroxyphenyl]pyridine-3-carboxamide
CID 1227049

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide (CID 136540655) is N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccnnc2)c(O)c1.
What is the InChIKey of N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide?
The InChIKey is CUQUCGXGBNGURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2,3)11-4-5-12(13(19)8-11)18-14(20)10-6-7-16-17-9-10/h4-9,19H,1-3H3,(H,18,20).
What are the key properties of N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide?
N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 136540655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).