isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine

C16H15N3 — CID 105143585

IUPACisoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cccc3cnccc23)cn1
InChIInChI=1S/C16H15N3/c1-11-5-6-13(10-19-11)16(17)15-4-2-3-12-9-18-8-7-14(12)15/h2-10,16H,17H2,1H3
InChIKeyFDZFFXAIGGZFAT-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.99
Rot. Bonds2

About isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine

isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine (PubChem CID 105143585) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Nameisoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
PubChem CID105143585
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Nameisoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cccc3cnccc23)cn1
InChIInChI=1S/C16H15N3/c1-11-5-6-13(10-19-11)16(17)15-4-2-3-12-9-18-8-7-14(12)15/h2-10,16H,17H2,1H3
InChIKeyFDZFFXAIGGZFAT-UHFFFAOYSA-N
XLogP2.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-5-yl(phenyl)methanamine
CID 55118760
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
(3-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 55118758
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853206
isoquinolin-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105094562
1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55119046
1-isoquinolin-5-yl-2-pyridin-3-ylethanamine
CID 62814184

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine (CID 105143585) is isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine is Cc1ccc(C(N)c2cccc3cnccc23)cn1.
What is the InChIKey of isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is FDZFFXAIGGZFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-5-6-13(10-19-11)16(17)15-4-2-3-12-9-18-8-7-14(12)15/h2-10,16H,17H2,1H3.
What are the key properties of isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine?
isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 249.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105143585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).