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

C20H19N3O2 — CID 171934730

IUPAC2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2ccncc2)cc(C(N)=O)c1N
InChIInChI=1S/C20H19N3O2/c1-11-3-4-17(24)12(2)18(11)15-9-14(13-5-7-23-8-6-13)10-16(19(15)21)20(22)25/h3-10,24H,21H2,1-2H3,(H2,22,25)
InChIKeyWMCIJTOVEOXHKF-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.42
Rot. Bonds3

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

2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide (PubChem CID 171934730) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide
PubChem CID171934730
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2ccncc2)cc(C(N)=O)c1N
InChIInChI=1S/C20H19N3O2/c1-11-3-4-17(24)12(2)18(11)15-9-14(13-5-7-23-8-6-13)10-16(19(15)21)20(22)25/h3-10,24H,21H2,1-2H3,(H2,22,25)
InChIKeyWMCIJTOVEOXHKF-UHFFFAOYSA-N
XLogP3.42
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide?
The IUPAC name of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide (CID 171934730) is 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide?
The canonical SMILES for 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide is Cc1ccc(O)c(C)c1-c1cc(-c2ccncc2)cc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide?
The InChIKey is WMCIJTOVEOXHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-11-3-4-17(24)12(2)18(11)15-9-14(13-5-7-23-8-6-13)10-16(19(15)21)20(22)25/h3-10,24H,21H2,1-2H3,(H2,22,25).
What are the key properties of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide?
2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide is sourced from PubChem (CID 171934730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).