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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 166209187
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-[(3R)-3-morpholin-4-ylsulfonylpiperidin-1-yl]pyridine-3-carbonitrile
CID 97344026
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171994800
2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95882703
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 56877761
2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172901289

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).