N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine

C16H16N4 — CID 71461845

IUPACN'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine
SMILESNCCNc1nc(-c2ccncc2)cc2ccccc12
InChIInChI=1S/C16H16N4/c17-7-10-19-16-14-4-2-1-3-13(14)11-15(20-16)12-5-8-18-9-6-12/h1-6,8-9,11H,7,10,17H2,(H,19,20)
InChIKeyCMPYJCKDXNDOGF-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.67
Rot. Bonds4

About N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine

N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine (PubChem CID 71461845) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine
PubChem CID71461845
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine
SMILESNCCNc1nc(-c2ccncc2)cc2ccccc12
InChIInChI=1S/C16H16N4/c17-7-10-19-16-14-4-2-1-3-13(14)11-15(20-16)12-5-8-18-9-6-12/h1-6,8-9,11H,7,10,17H2,(H,19,20)
InChIKeyCMPYJCKDXNDOGF-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine (CID 71461845) is N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine is NCCNc1nc(-c2ccncc2)cc2ccccc12.
What is the InChIKey of N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine?
The InChIKey is CMPYJCKDXNDOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-7-10-19-16-14-4-2-1-3-13(14)11-15(20-16)12-5-8-18-9-6-12/h1-6,8-9,11H,7,10,17H2,(H,19,20).
What are the key properties of N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine?
N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 71461845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).