2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide

C19H18N4O2 — CID 177283680

IUPAC2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2ccnnc2)cc(C(N)=O)c1N
InChIInChI=1S/C19H18N4O2/c1-10-3-4-16(24)11(2)17(10)14-7-13(12-5-6-22-23-9-12)8-15(18(14)20)19(21)25/h3-9,24H,20H2,1-2H3,(H2,21,25)
InChIKeyAQXHXCFTNXMKBY-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.81
Rot. Bonds3

About 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide

2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide (PubChem CID 177283680) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide
PubChem CID177283680
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2ccnnc2)cc(C(N)=O)c1N
InChIInChI=1S/C19H18N4O2/c1-10-3-4-16(24)11(2)17(10)14-7-13(12-5-6-22-23-9-12)8-15(18(14)20)19(21)25/h3-9,24H,20H2,1-2H3,(H2,21,25)
InChIKeyAQXHXCFTNXMKBY-UHFFFAOYSA-N
XLogP2.81
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide
CID 171934732
3-amino-6-(2-amino-4-pyridinyl)-4-(3-hydroxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 177283434
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide
CID 170589414
2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide
CID 163859355
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)indolizine-5-carboxamide
CID 177042909
5-amino-6-(3-hydroxy-2,6-dimethylphenyl)-1-benzothiophene-4-carboxamide
CID 177042849
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylimidazo[1,2-a]pyridine-8-carboxamide
CID 177042782
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 177283417
6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
CID 171645198
7-amino-8-(3-hydroxy-2-methylphenyl)quinoline-6-carboxamide
CID 171645303
2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol
CID 101299416
2-methyl-5-(2-methyl-4-pyridinyl)benzamide
CID 68606460

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide?
The IUPAC name of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide (CID 177283680) is 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide.
What is the SMILES notation for 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide?
The canonical SMILES for 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide is Cc1ccc(O)c(C)c1-c1cc(-c2ccnnc2)cc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide?
The InChIKey is AQXHXCFTNXMKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-10-3-4-16(24)11(2)17(10)14-7-13(12-5-6-22-23-9-12)8-15(18(14)20)19(21)25/h3-9,24H,20H2,1-2H3,(H2,21,25).
What are the key properties of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide?
2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide has a molecular weight of 334.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide is sourced from PubChem (CID 177283680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).