2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile

C15H19N3O — CID 166225727

IUPAC2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCOCC(C2CCC2)C1
InChIInChI=1S/C15H19N3O/c16-9-13-5-2-6-17-15(13)18-7-8-19-11-14(10-18)12-3-1-4-12/h2,5-6,12,14H,1,3-4,7-8,10-11H2
InChIKeyJLQJJRFKTOQKNG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.21
Rot. Bonds2

About 2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile

2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile (PubChem CID 166225727) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile
PubChem CID166225727
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCOCC(C2CCC2)C1
InChIInChI=1S/C15H19N3O/c16-9-13-5-2-6-17-15(13)18-7-8-19-11-14(10-18)12-3-1-4-12/h2,5-6,12,14H,1,3-4,7-8,10-11H2
InChIKeyJLQJJRFKTOQKNG-UHFFFAOYSA-N
XLogP2.21
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile (CID 166225727) is 2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCOCC(C2CCC2)C1.
What is the InChIKey of 2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile?
The InChIKey is JLQJJRFKTOQKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-13-5-2-6-17-15(13)18-7-8-19-11-14(10-18)12-3-1-4-12/h2,5-6,12,14H,1,3-4,7-8,10-11H2.
What are the key properties of 2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile?
2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 166225727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).