6-(tert-butylamino)pyridine-2,3-dicarbonitrile

C11H12N4 — CID 10241897

IUPAC6-(tert-butylamino)pyridine-2,3-dicarbonitrile
SMILESCC(C)(C)Nc1ccc(C#N)c(C#N)n1
InChIInChI=1S/C11H12N4/c1-11(2,3)15-10-5-4-8(6-12)9(7-13)14-10/h4-5H,1-3H3,(H,14,15)
InChIKeyFMFKWMUXJHLWOU-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.04
Rot. Bonds1

About 6-(tert-butylamino)pyridine-2,3-dicarbonitrile

6-(tert-butylamino)pyridine-2,3-dicarbonitrile (PubChem CID 10241897) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-(tert-butylamino)pyridine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-(tert-butylamino)pyridine-2,3-dicarbonitrile
PubChem CID10241897
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name6-(tert-butylamino)pyridine-2,3-dicarbonitrile
SMILESCC(C)(C)Nc1ccc(C#N)c(C#N)n1
InChIInChI=1S/C11H12N4/c1-11(2,3)15-10-5-4-8(6-12)9(7-13)14-10/h4-5H,1-3H3,(H,14,15)
InChIKeyFMFKWMUXJHLWOU-UHFFFAOYSA-N
XLogP2.04
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)pyridine-2,3-dicarbonitrile?
The IUPAC name of 6-(tert-butylamino)pyridine-2,3-dicarbonitrile (CID 10241897) is 6-(tert-butylamino)pyridine-2,3-dicarbonitrile.
What is the SMILES notation for 6-(tert-butylamino)pyridine-2,3-dicarbonitrile?
The canonical SMILES for 6-(tert-butylamino)pyridine-2,3-dicarbonitrile is CC(C)(C)Nc1ccc(C#N)c(C#N)n1.
What is the InChIKey of 6-(tert-butylamino)pyridine-2,3-dicarbonitrile?
The InChIKey is FMFKWMUXJHLWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-11(2,3)15-10-5-4-8(6-12)9(7-13)14-10/h4-5H,1-3H3,(H,14,15).
What are the key properties of 6-(tert-butylamino)pyridine-2,3-dicarbonitrile?
6-(tert-butylamino)pyridine-2,3-dicarbonitrile has a molecular weight of 200.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)pyridine-2,3-dicarbonitrile is sourced from PubChem (CID 10241897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).