N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine

C16H15N3 — CID 107037686

IUPACN-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
SMILESc1cc(CNCc2ccc3cnccc3c2)ccn1
InChIInChI=1S/C16H15N3/c1-2-16-12-18-8-5-15(16)9-14(1)11-19-10-13-3-6-17-7-4-13/h1-9,12,19H,10-11H2
InChIKeyWLMUQXRUWCEFCC-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.92
Rot. Bonds4

About N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine

N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine (PubChem CID 107037686) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
PubChem CID107037686
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
SMILESc1cc(CNCc2ccc3cnccc3c2)ccn1
InChIInChI=1S/C16H15N3/c1-2-16-12-18-8-5-15(16)9-14(1)11-19-10-13-3-6-17-7-4-13/h1-9,12,19H,10-11H2
InChIKeyWLMUQXRUWCEFCC-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185996
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 107038302
1-isoquinolin-6-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 107038081
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
CID 107037794
N-(isoquinolin-6-ylmethyl)-2-phenylsulfanylethanamine
CID 107038074
4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol
CID 107038561
1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine
CID 107166584
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine
CID 107038125
N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine
CID 107038817
N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine
CID 107166793
1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107038834

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine?
The IUPAC name of N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine (CID 107037686) is N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine is c1cc(CNCc2ccc3cnccc3c2)ccn1.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine?
The InChIKey is WLMUQXRUWCEFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-16-12-18-8-5-15(16)9-14(1)11-19-10-13-3-6-17-7-4-13/h1-9,12,19H,10-11H2.
What are the key properties of N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine?
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine has a molecular weight of 249.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 107037686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).