1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine

C21H22N4 — CID 22256465

IUPAC1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2cccc3c2CCN(c2ccccn2)C3)nc1
InChIInChI=1S/C21H22N4/c1-3-11-23-19(8-1)15-22-14-17-6-5-7-18-16-25(13-10-20(17)18)21-9-2-4-12-24-21/h1-9,11-12,22H,10,13-16H2
InChIKeyAYZNUGGOYICENN-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.33
Rot. Bonds5

About 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine

1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 22256465) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID22256465
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2cccc3c2CCN(c2ccccn2)C3)nc1
InChIInChI=1S/C21H22N4/c1-3-11-23-19(8-1)15-22-14-17-6-5-7-18-16-25(13-10-20(17)18)21-9-2-4-12-24-21/h1-9,11-12,22H,10,13-16H2
InChIKeyAYZNUGGOYICENN-UHFFFAOYSA-N
XLogP3.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine with MolForge

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Related Compounds

N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347
N,N-dimethyl-2-[(7-pyridin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]ethanamine
CID 97463744
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol
CID 61389966
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-[(7-pyridin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]furan-2-carboxamide;hydrochloride
CID 171689909
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride
CID 54576515
cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
CID 139152391

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 22256465) is 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CNCc2cccc3c2CCN(c2ccccn2)C3)nc1.
What is the InChIKey of 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is AYZNUGGOYICENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-3-11-23-19(8-1)15-22-14-17-6-5-7-18-16-25(13-10-20(17)18)21-9-2-4-12-24-21/h1-9,11-12,22H,10,13-16H2.
What are the key properties of 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine?
1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 330.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 22256465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).