5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine

C17H18N4 — CID 62823715

IUPAC5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2cccc3cnccc23)cn1
InChIInChI=1S/C17H18N4/c1-21(2)17-7-6-15(12-20-17)19-11-14-5-3-4-13-10-18-9-8-16(13)14/h3-10,12,19H,11H2,1-2H3
InChIKeyGARLGSXENXCYFD-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.31
Rot. Bonds4

About 5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 62823715) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID62823715
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2cccc3cnccc23)cn1
InChIInChI=1S/C17H18N4/c1-21(2)17-7-6-15(12-20-17)19-11-14-5-3-4-13-10-18-9-8-16(13)14/h3-10,12,19H,11H2,1-2H3
InChIKeyGARLGSXENXCYFD-UHFFFAOYSA-N
XLogP3.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine (CID 62823715) is 5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine is CN(C)c1ccc(NCc2cccc3cnccc23)cn1.
What is the InChIKey of 5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is GARLGSXENXCYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-21(2)17-7-6-15(12-20-17)19-11-14-5-3-4-13-10-18-9-8-16(13)14/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 62823715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).