1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine

C18H19N3 — CID 105147366

IUPAC1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
SMILESCNC(c1ccc(C)nc1C)c1cncc2ccccc12
InChIInChI=1S/C18H19N3/c1-12-8-9-15(13(2)21-12)18(19-3)17-11-20-10-14-6-4-5-7-16(14)17/h4-11,18-19H,1-3H3
InChIKeyUVKLRODNOYFJQA-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.56
Rot. Bonds3

About 1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine

1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine (PubChem CID 105147366) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
PubChem CID105147366
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
SMILESCNC(c1ccc(C)nc1C)c1cncc2ccccc12
InChIInChI=1S/C18H19N3/c1-12-8-9-15(13(2)21-12)18(19-3)17-11-20-10-14-6-4-5-7-16(14)17/h4-11,18-19H,1-3H3
InChIKeyUVKLRODNOYFJQA-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
CID 105097633
1-(3-bromo-2-methylphenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856144
1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856317
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63940161
1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine
CID 105147444
1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103444277
1-(3-ethyl-1-methylpyrazol-4-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 102812364
1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107975243
1-(4,5-dibromothiophen-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856280
1-(2,6-dimethyl-3-pyridinyl)-1-(furan-2-yl)-N-methylmethanamine
CID 82237737

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine (CID 105147366) is 1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine is CNC(c1ccc(C)nc1C)c1cncc2ccccc12.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The InChIKey is UVKLRODNOYFJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-8-9-15(13(2)21-12)18(19-3)17-11-20-10-14-6-4-5-7-16(14)17/h4-11,18-19H,1-3H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine?
1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine is sourced from PubChem (CID 105147366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).