6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine

C15H17N3 — CID 22605921

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
InChIKeyMHQJUEQRWCKJRG-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.53
Rot. Bonds1

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine

6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine (PubChem CID 22605921) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine
PubChem CID22605921
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
InChIKeyMHQJUEQRWCKJRG-UHFFFAOYSA-N
XLogP2.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine (CID 22605921) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine is Cc1cc(N)nc(N2CCc3ccccc3C2)c1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine?
The InChIKey is MHQJUEQRWCKJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine is sourced from PubChem (CID 22605921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).