5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine

C17H18N4 — CID 107037893

IUPAC5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2ccc3cnccc3c2)cn1
InChIInChI=1S/C17H18N4/c1-21(2)17-6-5-16(12-20-17)19-10-13-3-4-15-11-18-8-7-14(15)9-13/h3-9,11-12,19H,10H2,1-2H3
InChIKeyLYBDDRIFGJVMMG-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.31
Rot. Bonds4

About 5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 107037893) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID107037893
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2ccc3cnccc3c2)cn1
InChIInChI=1S/C17H18N4/c1-21(2)17-6-5-16(12-20-17)19-10-13-3-4-15-11-18-8-7-14(15)9-13/h3-9,11-12,19H,10H2,1-2H3
InChIKeyLYBDDRIFGJVMMG-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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Related Compounds

1-N-(isoquinolin-6-ylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 107037855
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690444
N-(isoquinolin-6-ylmethyl)-3-methoxyaniline
CID 107037607
3,5-difluoro-N-(isoquinolin-6-ylmethyl)aniline
CID 107037597
2,6-dichloro-4-(isoquinolin-6-ylmethylamino)phenol
CID 107679519
4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43690428
5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 62823715
4-bromo-N-(isoquinolin-6-ylmethyl)-3-methoxyaniline
CID 107038810
2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine
CID 62095305
N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline
CID 107037421
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine
CID 68723711

Frequently Asked Questions

What is the IUPAC name of 5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine (CID 107037893) is 5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine is CN(C)c1ccc(NCc2ccc3cnccc3c2)cn1.
What is the InChIKey of 5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is LYBDDRIFGJVMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-21(2)17-6-5-16(12-20-17)19-10-13-3-4-15-11-18-8-7-14(15)9-13/h3-9,11-12,19H,10H2,1-2H3.
What are the key properties of 5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-(isoquinolin-6-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-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 107037893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).