3-(4-methylazepan-1-yl)pyridine-4-carbonitrile

C13H17N3 — CID 114287585

IUPAC3-(4-methylazepan-1-yl)pyridine-4-carbonitrile
SMILESCC1CCCN(c2cnccc2C#N)CC1
InChIInChI=1S/C13H17N3/c1-11-3-2-7-16(8-5-11)13-10-15-6-4-12(13)9-14/h4,6,10-11H,2-3,5,7-8H2,1H3
InChIKeyGEBHSWLRWICHEX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.58
Rot. Bonds1

About 3-(4-methylazepan-1-yl)pyridine-4-carbonitrile

3-(4-methylazepan-1-yl)pyridine-4-carbonitrile (PubChem CID 114287585) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(4-methylazepan-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-methylazepan-1-yl)pyridine-4-carbonitrile
PubChem CID114287585
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(4-methylazepan-1-yl)pyridine-4-carbonitrile
SMILESCC1CCCN(c2cnccc2C#N)CC1
InChIInChI=1S/C13H17N3/c1-11-3-2-7-16(8-5-11)13-10-15-6-4-12(13)9-14/h4,6,10-11H,2-3,5,7-8H2,1H3
InChIKeyGEBHSWLRWICHEX-UHFFFAOYSA-N
XLogP2.58
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylazepan-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-(4-methylazepan-1-yl)pyridine-4-carbonitrile (CID 114287585) is 3-(4-methylazepan-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(4-methylazepan-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(4-methylazepan-1-yl)pyridine-4-carbonitrile is CC1CCCN(c2cnccc2C#N)CC1.
What is the InChIKey of 3-(4-methylazepan-1-yl)pyridine-4-carbonitrile?
The InChIKey is GEBHSWLRWICHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-3-2-7-16(8-5-11)13-10-15-6-4-12(13)9-14/h4,6,10-11H,2-3,5,7-8H2,1H3.
What are the key properties of 3-(4-methylazepan-1-yl)pyridine-4-carbonitrile?
3-(4-methylazepan-1-yl)pyridine-4-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylazepan-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 114287585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).