1-isoquinolin-5-yl-2-pyridin-3-ylethanamine

C16H15N3 — CID 62814184

IUPAC1-isoquinolin-5-yl-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)c1cccc2cnccc12
InChIInChI=1S/C16H15N3/c17-16(9-12-3-2-7-18-10-12)15-5-1-4-13-11-19-8-6-14(13)15/h1-8,10-11,16H,9,17H2
InChIKeyBWPJAGACQAPXPY-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.87
Rot. Bonds3

About 1-isoquinolin-5-yl-2-pyridin-3-ylethanamine

1-isoquinolin-5-yl-2-pyridin-3-ylethanamine (PubChem CID 62814184) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-2-pyridin-3-ylethanamine
PubChem CID62814184
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-isoquinolin-5-yl-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)c1cccc2cnccc12
InChIInChI=1S/C16H15N3/c17-16(9-12-3-2-7-18-10-12)15-5-1-4-13-11-19-8-6-14(13)15/h1-8,10-11,16H,9,17H2
InChIKeyBWPJAGACQAPXPY-UHFFFAOYSA-N
XLogP2.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine
CID 64560423
1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55119046
2-(2-chloro-4-fluorophenyl)-1-isoquinolin-5-ylethanamine
CID 63035799
2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine
CID 103137033
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
CID 79086923
1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
2-(4-bromophenyl)sulfanyl-1-isoquinolin-5-ylethanamine
CID 66055100
1-(1H-indol-3-yl)-2-pyridin-3-ylethanamine
CID 130286276

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-isoquinolin-5-yl-2-pyridin-3-ylethanamine (CID 62814184) is 1-isoquinolin-5-yl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-isoquinolin-5-yl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-isoquinolin-5-yl-2-pyridin-3-ylethanamine is NC(Cc1cccnc1)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-2-pyridin-3-ylethanamine?
The InChIKey is BWPJAGACQAPXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-16(9-12-3-2-7-18-10-12)15-5-1-4-13-11-19-8-6-14(13)15/h1-8,10-11,16H,9,17H2.
What are the key properties of 1-isoquinolin-5-yl-2-pyridin-3-ylethanamine?
1-isoquinolin-5-yl-2-pyridin-3-ylethanamine has a molecular weight of 249.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 62814184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).