1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine

C16H15N3 — CID 63938040

IUPAC1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
SMILESCNC(c1ccncc1)c1cncc2ccccc12
InChIInChI=1S/C16H15N3/c1-17-16(12-6-8-18-9-7-12)15-11-19-10-13-4-2-3-5-14(13)15/h2-11,16-17H,1H3
InChIKeyRHQCQJQGXOJMHR-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.94
Rot. Bonds3

About 1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine

1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine (PubChem CID 63938040) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
PubChem CID63938040
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
SMILESCNC(c1ccncc1)c1cncc2ccccc12
InChIInChI=1S/C16H15N3/c1-17-16(12-6-8-18-9-7-12)15-11-19-10-13-4-2-3-5-14(13)15/h2-11,16-17H,1H3
InChIKeyRHQCQJQGXOJMHR-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine
CID 105147444
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63940161
1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856317
1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103444277
1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 105147366
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
1-(3-bromo-2-methylphenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856144
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
[isoquinolin-4-yl-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756551
N-[(3-chloro-4-pyridinyl)-isoquinolin-4-ylmethyl]ethanamine
CID 105147392
1-(2-methoxyphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 60819715

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine?
The IUPAC name of 1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine (CID 63938040) is 1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for 1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for 1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine is CNC(c1ccncc1)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine?
The InChIKey is RHQCQJQGXOJMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-17-16(12-6-8-18-9-7-12)15-11-19-10-13-4-2-3-5-14(13)15/h2-11,16-17H,1H3.
What are the key properties of 1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine?
1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine has a molecular weight of 249.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 63938040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).