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

C14H15N3 — CID 16783390

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
SMILESNc1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2
InChIKeyPDWIXUPKLCRNMD-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.23
Rot. Bonds1

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine (PubChem CID 16783390) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
PubChem CID16783390
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
SMILESNc1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2
InChIKeyPDWIXUPKLCRNMD-UHFFFAOYSA-N
XLogP2.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine (CID 16783390) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine is Nc1cccnc1N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine?
The InChIKey is PDWIXUPKLCRNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine has a molecular weight of 225.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine is sourced from PubChem (CID 16783390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).