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

C15H19N3 — CID 115883870

IUPAC3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile
SMILESCC(C)(C)C1=CCN(c2cnccc2C#N)CC1
InChIInChI=1S/C15H19N3/c1-15(2,3)13-5-8-18(9-6-13)14-11-17-7-4-12(14)10-16/h4-5,7,11H,6,8-9H2,1-3H3
InChIKeyDLHSDFPSLQSHPW-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.14
Rot. Bonds1

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

3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile (PubChem CID 115883870) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile
PubChem CID115883870
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile
SMILESCC(C)(C)C1=CCN(c2cnccc2C#N)CC1
InChIInChI=1S/C15H19N3/c1-15(2,3)13-5-8-18(9-6-13)14-11-17-7-4-12(14)10-16/h4-5,7,11H,6,8-9H2,1-3H3
InChIKeyDLHSDFPSLQSHPW-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 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile (CID 115883870) is 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile is CC(C)(C)C1=CCN(c2cnccc2C#N)CC1.
What is the InChIKey of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile?
The InChIKey is DLHSDFPSLQSHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2,3)13-5-8-18(9-6-13)14-11-17-7-4-12(14)10-16/h4-5,7,11H,6,8-9H2,1-3H3.
What are the key properties of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile?
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-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 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 115883870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).