2-(tert-butylamino)pyridine-3,4-dicarbonitrile

C11H12N4 — CID 10442777

IUPAC2-(tert-butylamino)pyridine-3,4-dicarbonitrile
SMILESCC(C)(C)Nc1nccc(C#N)c1C#N
InChIInChI=1S/C11H12N4/c1-11(2,3)15-10-9(7-13)8(6-12)4-5-14-10/h4-5H,1-3H3,(H,14,15)
InChIKeyUKEVNKMQZJFEQK-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.04
Rot. Bonds1

About 2-(tert-butylamino)pyridine-3,4-dicarbonitrile

2-(tert-butylamino)pyridine-3,4-dicarbonitrile (PubChem CID 10442777) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(tert-butylamino)pyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-(tert-butylamino)pyridine-3,4-dicarbonitrile
PubChem CID10442777
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name2-(tert-butylamino)pyridine-3,4-dicarbonitrile
SMILESCC(C)(C)Nc1nccc(C#N)c1C#N
InChIInChI=1S/C11H12N4/c1-11(2,3)15-10-9(7-13)8(6-12)4-5-14-10/h4-5H,1-3H3,(H,14,15)
InChIKeyUKEVNKMQZJFEQK-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 2-(tert-butylamino)pyridine-3,4-dicarbonitrile?
The IUPAC name of 2-(tert-butylamino)pyridine-3,4-dicarbonitrile (CID 10442777) is 2-(tert-butylamino)pyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-(tert-butylamino)pyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-(tert-butylamino)pyridine-3,4-dicarbonitrile is CC(C)(C)Nc1nccc(C#N)c1C#N.
What is the InChIKey of 2-(tert-butylamino)pyridine-3,4-dicarbonitrile?
The InChIKey is UKEVNKMQZJFEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-11(2,3)15-10-9(7-13)8(6-12)4-5-14-10/h4-5H,1-3H3,(H,14,15).
What are the key properties of 2-(tert-butylamino)pyridine-3,4-dicarbonitrile?
2-(tert-butylamino)pyridine-3,4-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 2-(tert-butylamino)pyridine-3,4-dicarbonitrile is sourced from PubChem (CID 10442777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).