isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine

C16H15N3 — CID 106755324

IUPACisoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine
SMILESCc1cc(C(N)c2cncc3ccccc23)ccn1
InChIInChI=1S/C16H15N3/c1-11-8-12(6-7-19-11)16(17)15-10-18-9-13-4-2-3-5-14(13)15/h2-10,16H,17H2,1H3
InChIKeyNCGBKDYIUZHVKN-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.99
Rot. Bonds2

About isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine

isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine (PubChem CID 106755324) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Nameisoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine
PubChem CID106755324
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Nameisoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine
SMILESCc1cc(C(N)c2cncc3ccccc23)ccn1
InChIInChI=1S/C16H15N3/c1-11-8-12(6-7-19-11)16(17)15-10-18-9-13-4-2-3-5-14(13)15/h2-10,16H,17H2,1H3
InChIKeyNCGBKDYIUZHVKN-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-4-yl-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756551
(2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine
CID 115856253
2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine
CID 115856211
(2-methyl-4-pyridinyl)-(4-phenylphenyl)methanamine
CID 106755381
isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
CID 105143585
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
1-isoquinolin-4-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63940953
isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105147400
1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
(2,5-difluorophenyl)-(2-methyl-4-pyridinyl)methanamine
CID 106755257
(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106755901
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine?
The IUPAC name of isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine (CID 106755324) is isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine?
The canonical SMILES for isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine is Cc1cc(C(N)c2cncc3ccccc23)ccn1.
What is the InChIKey of isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine?
The InChIKey is NCGBKDYIUZHVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-8-12(6-7-19-11)16(17)15-10-18-9-13-4-2-3-5-14(13)15/h2-10,16H,17H2,1H3.
What are the key properties of isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine?
isoquinolin-4-yl-(2-methyl-4-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-4-yl-(2-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 106755324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).