2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide

C18H21N3O3 — CID 163315890

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCC(O)c1cccc(=O)[nH]1
InChIInChI=1S/C18H21N3O3/c22-16(15-6-3-7-17(23)20-15)10-19-18(24)12-21-9-8-13-4-1-2-5-14(13)11-21/h1-7,16,22H,8-12H2,(H,19,24)(H,20,23)
InChIKeyGWHBANSNSYZFOJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP0.58
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide (PubChem CID 163315890) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
PubChem CID163315890
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCC(O)c1cccc(=O)[nH]1
InChIInChI=1S/C18H21N3O3/c22-16(15-6-3-7-17(23)20-15)10-19-18(24)12-21-9-8-13-4-1-2-5-14(13)11-21/h1-7,16,22H,8-12H2,(H,19,24)(H,20,23)
InChIKeyGWHBANSNSYZFOJ-UHFFFAOYSA-N
XLogP0.58
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide with MolForge

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Related Compounds

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 163305963
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37495697
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 39616511
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)acetamide
CID 6458103
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 87012320
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CID 8897358
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169
N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2345538
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8896823
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 90328743
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109000031

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide (CID 163315890) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide is O=C(CN1CCc2ccccc2C1)NCC(O)c1cccc(=O)[nH]1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide?
The InChIKey is GWHBANSNSYZFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-16(15-6-3-7-17(23)20-15)10-19-18(24)12-21-9-8-13-4-1-2-5-14(13)11-21/h1-7,16,22H,8-12H2,(H,19,24)(H,20,23).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide is sourced from PubChem (CID 163315890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).