2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide

C18H17N3O — CID 11335291

IUPAC2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide
SMILESO=C(Cc1cccc2cnccc12)NCCc1cccnc1
InChIInChI=1S/C18H17N3O/c22-18(21-10-6-14-3-2-8-19-12-14)11-15-4-1-5-16-13-20-9-7-17(15)16/h1-5,7-9,12-13H,6,10-11H2,(H,21,22)
InChIKeyYJRNPNIDBMRPQM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.53
Rot. Bonds5

About 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide

2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide (PubChem CID 11335291) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide
PubChem CID11335291
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide
SMILESO=C(Cc1cccc2cnccc12)NCCc1cccnc1
InChIInChI=1S/C18H17N3O/c22-18(21-10-6-14-3-2-8-19-12-14)11-15-4-1-5-16-13-20-9-7-17(15)16/h1-5,7-9,12-13H,6,10-11H2,(H,21,22)
InChIKeyYJRNPNIDBMRPQM-UHFFFAOYSA-N
XLogP2.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)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

2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
CID 60895368
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
2-isoquinolin-5-ylacetamide
CID 68785768
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide (CID 11335291) is 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide is O=C(Cc1cccc2cnccc12)NCCc1cccnc1.
What is the InChIKey of 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide?
The InChIKey is YJRNPNIDBMRPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(21-10-6-14-3-2-8-19-12-14)11-15-4-1-5-16-13-20-9-7-17(15)16/h1-5,7-9,12-13H,6,10-11H2,(H,21,22).
What are the key properties of 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide?
2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 11335291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).