2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile

C16H15N3O — CID 56868045

IUPAC2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile
SMILESCOc1nccc(-c2cccc3c2CCNC3)c1C#N
InChIInChI=1S/C16H15N3O/c1-20-16-15(9-17)14(6-8-19-16)13-4-2-3-11-10-18-7-5-12(11)13/h2-4,6,8,18H,5,7,10H2,1H3
InChIKeyOSYNZLOZIXQHPQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.27
Rot. Bonds2

About 2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile

2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile (PubChem CID 56868045) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile
PubChem CID56868045
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile
SMILESCOc1nccc(-c2cccc3c2CCNC3)c1C#N
InChIInChI=1S/C16H15N3O/c1-20-16-15(9-17)14(6-8-19-16)13-4-2-3-11-10-18-7-5-12(11)13/h2-4,6,8,18H,5,7,10H2,1H3
InChIKeyOSYNZLOZIXQHPQ-UHFFFAOYSA-N
XLogP2.27
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile (CID 56868045) is 2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile is COc1nccc(-c2cccc3c2CCNC3)c1C#N.
What is the InChIKey of 2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile?
The InChIKey is OSYNZLOZIXQHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-16-15(9-17)14(6-8-19-16)13-4-2-3-11-10-18-7-5-12(11)13/h2-4,6,8,18H,5,7,10H2,1H3.
What are the key properties of 2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile?
2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56868045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).