2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C19H19N3O2 — CID 51238465

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NCc1cccnc1
InChIInChI=1S/C19H19N3O2/c1-14(23)22-10-8-16-6-2-3-7-17(16)18(22)11-19(24)21-13-15-5-4-9-20-12-15/h2-10,12,18H,11,13H2,1H3,(H,21,24)
InChIKeyDCYSADRWSSCNMB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.66
Rot. Bonds4

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 51238465) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID51238465
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NCc1cccnc1
InChIInChI=1S/C19H19N3O2/c1-14(23)22-10-8-16-6-2-3-7-17(16)18(22)11-19(24)21-13-15-5-4-9-20-12-15/h2-10,12,18H,11,13H2,1H3,(H,21,24)
InChIKeyDCYSADRWSSCNMB-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-benzylbenzamide
CID 43052968
2-[[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 125150637
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-aminobutyl)acetamide;hydrochloride
CID 119260378
5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119234430
(2S)-2-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 124682868
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 8963976
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317292
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51238433
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(N-methylanilino)butyl]acetamide
CID 60566558
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370303
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide
CID 45352268

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 51238465) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)NCc1cccnc1.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DCYSADRWSSCNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(23)22-10-8-16-6-2-3-7-17(16)18(22)11-19(24)21-13-15-5-4-9-20-12-15/h2-10,12,18H,11,13H2,1H3,(H,21,24).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 51238465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).