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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Related Compounds

GR-55562
CID 128018
3-amino-2-(4-hydroxy-3-methylphenyl)-N-isoquinolin-6-ylpropanamide
CID 59563754
3-Hydroxy-N-(pyridin-4-yl)naphthalene-2-carboxamide
CID 24684670
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]pyridine-3-carbohydrazide
CID 135604370
Hydroxynaphthaldehyde nicotinoylhydrazone
CID 678892
1-(4-Hydroxy-2-methyl-phenyl)-4-oxo-7-pyridin-4-yl-1,4-dihydro-quinoline-3-carboxylic acid amide
CID 19959069
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-6-methylpyridine-3-carbohydrazide
CID 135578967
4-[(3-Hydroxy-4-pyridin-4-yl-benzylamino)-methylene]-6-iodo-4H-isoquinoline-1,3-dione
CID 135863112
4-[(3-Hydroxy-4-pyridin-3-yl-benzylamino)-methylene]-6-iodo-4H-isoquinoline-1,3-dione
CID 135875619
2-Hydroxy-5-(pyridin-4-yl)benzamide
CID 135909516
2-Amino-5-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-3-(3-hydroxy-2,6-dimethylphenyl)benzamide
CID 171934731
2-Amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide
CID 171934732

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).