N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine

C16H15N3O — CID 107037935

IUPACN-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NCc1ccc2cnccc2c1
InChIInChI=1S/C16H15N3O/c1-20-16-15(3-2-7-18-16)19-10-12-4-5-14-11-17-8-6-13(14)9-12/h2-9,11,19H,10H2,1H3
InChIKeyYGUWENWSYBNVBA-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds4

About N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine

N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine (PubChem CID 107037935) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine
PubChem CID107037935
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NCc1ccc2cnccc2c1
InChIInChI=1S/C16H15N3O/c1-20-16-15(3-2-7-18-16)19-10-12-4-5-14-11-17-8-6-13(14)9-12/h2-9,11,19H,10H2,1H3
InChIKeyYGUWENWSYBNVBA-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(isoquinolin-6-ylmethyl)-3-methoxyaniline
CID 107037607
2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
CID 61016634
N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741
N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline
CID 107037421
4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol
CID 43721997
2,4,5-trichloro-N-(isoquinolin-6-ylmethyl)aniline
CID 107037484
2,4,5-trifluoro-N-(isoquinolin-6-ylmethyl)aniline
CID 107038325
2-bromo-N-(isoquinolin-6-ylmethyl)-4-methylaniline
CID 107037459
5-chloro-N-(isoquinolin-6-ylmethyl)-2-methylaniline
CID 107037411
4-bromo-N-(isoquinolin-6-ylmethyl)-3-methoxyaniline
CID 107038810
2-methyl-N-(naphthalen-2-ylmethyl)pyridin-3-amine
CID 79042132
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine?
The IUPAC name of N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine (CID 107037935) is N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine is COc1ncccc1NCc1ccc2cnccc2c1.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine?
The InChIKey is YGUWENWSYBNVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-16-15(3-2-7-18-16)19-10-12-4-5-14-11-17-8-6-13(14)9-12/h2-9,11,19H,10H2,1H3.
What are the key properties of N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine?
N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine has a molecular weight of 265.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine is sourced from PubChem (CID 107037935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).