2-(oxazepan-4-yl)pyridine-3-carbonitrile

C11H13N3O — CID 154409007

IUPAC2-(oxazepan-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1C1CCCONC1
InChIInChI=1S/C11H13N3O/c12-7-9-3-1-5-13-11(9)10-4-2-6-15-14-8-10/h1,3,5,10,14H,2,4,6,8H2
InChIKeyNNRJJORIXOQTAN-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.35
Rot. Bonds1

About 2-(oxazepan-4-yl)pyridine-3-carbonitrile

2-(oxazepan-4-yl)pyridine-3-carbonitrile (PubChem CID 154409007) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(oxazepan-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(oxazepan-4-yl)pyridine-3-carbonitrile
PubChem CID154409007
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(oxazepan-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1C1CCCONC1
InChIInChI=1S/C11H13N3O/c12-7-9-3-1-5-13-11(9)10-4-2-6-15-14-8-10/h1,3,5,10,14H,2,4,6,8H2
InChIKeyNNRJJORIXOQTAN-UHFFFAOYSA-N
XLogP1.35
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxazepan-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(oxazepan-4-yl)pyridine-3-carbonitrile (CID 154409007) is 2-(oxazepan-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(oxazepan-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(oxazepan-4-yl)pyridine-3-carbonitrile is N#Cc1cccnc1C1CCCONC1.
What is the InChIKey of 2-(oxazepan-4-yl)pyridine-3-carbonitrile?
The InChIKey is NNRJJORIXOQTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-9-3-1-5-13-11(9)10-4-2-6-15-14-8-10/h1,3,5,10,14H,2,4,6,8H2.
What are the key properties of 2-(oxazepan-4-yl)pyridine-3-carbonitrile?
2-(oxazepan-4-yl)pyridine-3-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxazepan-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 154409007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).