N-pyridin-2-yl-1H-isoquinolin-2-amine

C14H13N3 — CID 19595286

IUPACN-pyridin-2-yl-1H-isoquinolin-2-amine
SMILESC1=CN(Nc2ccccn2)Cc2ccccc21
InChIInChI=1S/C14H13N3/c1-2-6-13-11-17(10-8-12(13)5-1)16-14-7-3-4-9-15-14/h1-10H,11H2,(H,15,16)
InChIKeyNDXNWQPIZBGHIJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.89
Rot. Bonds2

About N-pyridin-2-yl-1H-isoquinolin-2-amine

N-pyridin-2-yl-1H-isoquinolin-2-amine (PubChem CID 19595286) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-pyridin-2-yl-1H-isoquinolin-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-1H-isoquinolin-2-amine
PubChem CID19595286
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC NameN-pyridin-2-yl-1H-isoquinolin-2-amine
SMILESC1=CN(Nc2ccccn2)Cc2ccccc21
InChIInChI=1S/C14H13N3/c1-2-6-13-11-17(10-8-12(13)5-1)16-14-7-3-4-9-15-14/h1-10H,11H2,(H,15,16)
InChIKeyNDXNWQPIZBGHIJ-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-1H-isoquinolin-2-amine?
The IUPAC name of N-pyridin-2-yl-1H-isoquinolin-2-amine (CID 19595286) is N-pyridin-2-yl-1H-isoquinolin-2-amine.
What is the SMILES notation for N-pyridin-2-yl-1H-isoquinolin-2-amine?
The canonical SMILES for N-pyridin-2-yl-1H-isoquinolin-2-amine is C1=CN(Nc2ccccn2)Cc2ccccc21.
What is the InChIKey of N-pyridin-2-yl-1H-isoquinolin-2-amine?
The InChIKey is NDXNWQPIZBGHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-6-13-11-17(10-8-12(13)5-1)16-14-7-3-4-9-15-14/h1-10H,11H2,(H,15,16).
What are the key properties of N-pyridin-2-yl-1H-isoquinolin-2-amine?
N-pyridin-2-yl-1H-isoquinolin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-1H-isoquinolin-2-amine is sourced from PubChem (CID 19595286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).