2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C22H20N2O2 — CID 140654696

IUPAC2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESNC(=O)c1ccccc1[C@H]1CCc2cc(-c3ncccc3O)ccc2C1
InChIInChI=1S/C22H20N2O2/c23-22(26)19-5-2-1-4-18(19)16-9-7-15-13-17(10-8-14(15)12-16)21-20(25)6-3-11-24-21/h1-6,8,10-11,13,16,25H,7,9,12H2,(H2,23,26)/t16-/m0/s1
InChIKeyGMZVLPQDJSEXFJ-INIZCTEOSA-N
MW344.41 g/mol
LogP3.83
Rot. Bonds3

About 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 140654696) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID140654696
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESNC(=O)c1ccccc1[C@H]1CCc2cc(-c3ncccc3O)ccc2C1
InChIInChI=1S/C22H20N2O2/c23-22(26)19-5-2-1-4-18(19)16-9-7-15-13-17(10-8-14(15)12-16)21-20(25)6-3-11-24-21/h1-6,8,10-11,13,16,25H,7,9,12H2,(H2,23,26)/t16-/m0/s1
InChIKeyGMZVLPQDJSEXFJ-INIZCTEOSA-N
XLogP3.83
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 140654696) is 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is NC(=O)c1ccccc1[C@H]1CCc2cc(-c3ncccc3O)ccc2C1.
What is the InChIKey of 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is GMZVLPQDJSEXFJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20N2O2/c23-22(26)19-5-2-1-4-18(19)16-9-7-15-13-17(10-8-14(15)12-16)21-20(25)6-3-11-24-21/h1-6,8,10-11,13,16,25H,7,9,12H2,(H2,23,26)/t16-/m0/s1.
What are the key properties of 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 344.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 140654696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).