5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile

C14H19N3 — CID 79839803

IUPAC5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
SMILESCC1(C)CCCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C14H19N3/c1-14(2)6-3-8-17(9-7-14)13-5-4-12(10-15)16-11-13/h4-5,11H,3,6-9H2,1-2H3
InChIKeyIIYMRPHAUZCADO-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.97
Rot. Bonds1

About 5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile

5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile (PubChem CID 79839803) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
PubChem CID79839803
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
SMILESCC1(C)CCCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C14H19N3/c1-14(2)6-3-8-17(9-7-14)13-5-4-12(10-15)16-11-13/h4-5,11H,3,6-9H2,1-2H3
InChIKeyIIYMRPHAUZCADO-UHFFFAOYSA-N
XLogP2.97
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile (CID 79839803) is 5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile is CC1(C)CCCN(c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile?
The InChIKey is IIYMRPHAUZCADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2)6-3-8-17(9-7-14)13-5-4-12(10-15)16-11-13/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of 5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile?
5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 79839803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).