6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile

C18H19N3O2 — CID 56719018

IUPAC6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile
SMILESCOc1ccc(CN2CCCC2)cc1Oc1cccc(C#N)n1
InChIInChI=1S/C18H19N3O2/c1-22-16-8-7-14(13-21-9-2-3-10-21)11-17(16)23-18-6-4-5-15(12-19)20-18/h4-8,11H,2-3,9-10,13H2,1H3
InChIKeyYOFLWYUJJWGZAU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.35
Rot. Bonds5

About 6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile

6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile (PubChem CID 56719018) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile
PubChem CID56719018
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile
SMILESCOc1ccc(CN2CCCC2)cc1Oc1cccc(C#N)n1
InChIInChI=1S/C18H19N3O2/c1-22-16-8-7-14(13-21-9-2-3-10-21)11-17(16)23-18-6-4-5-15(12-19)20-18/h4-8,11H,2-3,9-10,13H2,1H3
InChIKeyYOFLWYUJJWGZAU-UHFFFAOYSA-N
XLogP3.35
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)pyrazine-2,3-dicarbonitrile
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6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
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2-(3,4-Dimethoxyphenyl)pyridine
CID 10998408
US11559538, Example 220
CID 146906713
US11559538, Example 230
CID 148717661
US11559538, Example 135
CID 149840336
US11559538, Example 213
CID 151128249

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile (CID 56719018) is 6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile is COc1ccc(CN2CCCC2)cc1Oc1cccc(C#N)n1.
What is the InChIKey of 6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile?
The InChIKey is YOFLWYUJJWGZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-16-8-7-14(13-21-9-2-3-10-21)11-17(16)23-18-6-4-5-15(12-19)20-18/h4-8,11H,2-3,9-10,13H2,1H3.
What are the key properties of 6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile?
6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 56719018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).