2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide

C20H21N3O3 — CID 60552472

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
SMILESCCn1cc(NC(=O)CC2c3ccccc3C=CN2C(C)=O)ccc1=O
InChIInChI=1S/C20H21N3O3/c1-3-22-13-16(8-9-20(22)26)21-19(25)12-18-17-7-5-4-6-15(17)10-11-23(18)14(2)24/h4-11,13,18H,3,12H2,1-2H3,(H,21,25)
InChIKeyWFSCIXWUUXPUBS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.77
Rot. Bonds4

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide (PubChem CID 60552472) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
PubChem CID60552472
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
SMILESCCn1cc(NC(=O)CC2c3ccccc3C=CN2C(C)=O)ccc1=O
InChIInChI=1S/C20H21N3O3/c1-3-22-13-16(8-9-20(22)26)21-19(25)12-18-17-7-5-4-6-15(17)10-11-23(18)14(2)24/h4-11,13,18H,3,12H2,1-2H3,(H,21,25)
InChIKeyWFSCIXWUUXPUBS-UHFFFAOYSA-N
XLogP2.77
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide (CID 60552472) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide is CCn1cc(NC(=O)CC2c3ccccc3C=CN2C(C)=O)ccc1=O.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The InChIKey is WFSCIXWUUXPUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-22-13-16(8-9-20(22)26)21-19(25)12-18-17-7-5-4-6-15(17)10-11-23(18)14(2)24/h4-11,13,18H,3,12H2,1-2H3,(H,21,25).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 60552472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).