6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile

C15H19N3 — CID 115774288

IUPAC6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile
SMILESCC(C)(C)C1=CCN(c2cccc(C#N)n2)CC1
InChIInChI=1S/C15H19N3/c1-15(2,3)12-7-9-18(10-8-12)14-6-4-5-13(11-16)17-14/h4-7H,8-10H2,1-3H3
InChIKeyGOFUKAZSIUOREU-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.14
Rot. Bonds1

About 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile

6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile (PubChem CID 115774288) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile
PubChem CID115774288
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile
SMILESCC(C)(C)C1=CCN(c2cccc(C#N)n2)CC1
InChIInChI=1S/C15H19N3/c1-15(2,3)12-7-9-18(10-8-12)14-6-4-5-13(11-16)17-14/h4-7H,8-10H2,1-3H3
InChIKeyGOFUKAZSIUOREU-UHFFFAOYSA-N
XLogP3.14
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile (CID 115774288) is 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile is CC(C)(C)C1=CCN(c2cccc(C#N)n2)CC1.
What is the InChIKey of 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile?
The InChIKey is GOFUKAZSIUOREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2,3)12-7-9-18(10-8-12)14-6-4-5-13(11-16)17-14/h4-7H,8-10H2,1-3H3.
What are the key properties of 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile?
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 115774288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).