N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide

C16H17N3O — CID 47293347

IUPACN-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CCN(c1ccccn1)C2
InChIInChI=1S/C16H17N3O/c1-12(20)18-15-6-4-5-13-11-19(10-8-14(13)15)16-7-2-3-9-17-16/h2-7,9H,8,10-11H2,1H3,(H,18,20)
InChIKeyPXNARWOHYFNTSW-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.60
Rot. Bonds2

About N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide

N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide (PubChem CID 47293347) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
PubChem CID47293347
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CCN(c1ccccn1)C2
InChIInChI=1S/C16H17N3O/c1-12(20)18-15-6-4-5-13-11-19(10-8-14(13)15)16-7-2-3-9-17-16/h2-7,9H,8,10-11H2,1H3,(H,18,20)
InChIKeyPXNARWOHYFNTSW-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide 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

N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47059562
N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 137268114
6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide
CID 167790130
N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 133298183
1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 166185998
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide;hydrochloride
CID 141068267
methyl 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-4-chloro-1,3-thiazole-5-carboxylate
CID 51124758
1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 22256465
1-[2-(4-methylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-3-phenylurea
CID 133309464
N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 146085199
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
The IUPAC name of N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide (CID 47293347) is N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide.
What is the SMILES notation for N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
The canonical SMILES for N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide is CC(=O)Nc1cccc2c1CCN(c1ccccn1)C2.
What is the InChIKey of N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
The InChIKey is PXNARWOHYFNTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(20)18-15-6-4-5-13-11-19(10-8-14(13)15)16-7-2-3-9-17-16/h2-7,9H,8,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide is sourced from PubChem (CID 47293347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).