5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine

C17H17N3 — CID 168882948

IUPAC5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine
SMILESCC(C)c1ncc(-c2cc3ccccc3cn2)cc1N
InChIInChI=1S/C17H17N3/c1-11(2)17-15(18)7-14(10-20-17)16-8-12-5-3-4-6-13(12)9-19-16/h3-11H,18H2,1-2H3
InChIKeyQCWUNBUCCBNZPV-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.00
Rot. Bonds2

About 5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine

5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine (PubChem CID 168882948) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine
PubChem CID168882948
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine
SMILESCC(C)c1ncc(-c2cc3ccccc3cn2)cc1N
InChIInChI=1S/C17H17N3/c1-11(2)17-15(18)7-14(10-20-17)16-8-12-5-3-4-6-13(12)9-19-16/h3-11H,18H2,1-2H3
InChIKeyQCWUNBUCCBNZPV-UHFFFAOYSA-N
XLogP4.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine (CID 168882948) is 5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine is CC(C)c1ncc(-c2cc3ccccc3cn2)cc1N.
What is the InChIKey of 5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine?
The InChIKey is QCWUNBUCCBNZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11(2)17-15(18)7-14(10-20-17)16-8-12-5-3-4-6-13(12)9-19-16/h3-11H,18H2,1-2H3.
What are the key properties of 5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine?
5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine has a molecular weight of 263.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 168882948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).