6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine

C15H14N4O — CID 122451767

IUPAC6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
SMILESCOc1cccc2c(Nc3cccc(N)n3)nccc12
InChIInChI=1S/C15H14N4O/c1-20-12-5-2-4-11-10(12)8-9-17-15(11)19-14-7-3-6-13(16)18-14/h2-9H,1H3,(H3,16,17,18,19)
InChIKeyXEMZCBFERCMFRV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.96
Rot. Bonds3

About 6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine

6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine (PubChem CID 122451767) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
PubChem CID122451767
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
SMILESCOc1cccc2c(Nc3cccc(N)n3)nccc12
InChIInChI=1S/C15H14N4O/c1-20-12-5-2-4-11-10(12)8-9-17-15(11)19-14-7-3-6-13(16)18-14/h2-9H,1H3,(H3,16,17,18,19)
InChIKeyXEMZCBFERCMFRV-UHFFFAOYSA-N
XLogP2.96
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine
CID 122443345
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
N-[3-(chloromethyl)phenyl]-5-methoxyisoquinolin-1-amine
CID 106542683
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106128982
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
methyl 2-[(5-methoxyisoquinolin-1-yl)amino]-3-methylbutanoate
CID 106536071
N-heptan-2-yl-5-methoxyisoquinolin-1-amine
CID 106538014
1-N-(5-methoxyisoquinolin-1-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159175

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine (CID 122451767) is 6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine is COc1cccc2c(Nc3cccc(N)n3)nccc12.
What is the InChIKey of 6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine?
The InChIKey is XEMZCBFERCMFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-12-5-2-4-11-10(12)8-9-17-15(11)19-14-7-3-6-13(16)18-14/h2-9H,1H3,(H3,16,17,18,19).
What are the key properties of 6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine?
6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine is sourced from PubChem (CID 122451767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).