2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile

C16H16N4O — CID 3429320

IUPAC2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile
SMILESCC(C)(C)C1=C(C#N)C(c2ccncc2)C(C#N)=C(N)O1
InChIInChI=1S/C16H16N4O/c1-16(2,3)14-11(8-17)13(10-4-6-20-7-5-10)12(9-18)15(19)21-14/h4-7,13H,19H2,1-3H3
InChIKeyRADYSNNCVSUORP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds1

About 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile

2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile (PubChem CID 3429320) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile
PubChem CID3429320
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile
SMILESCC(C)(C)C1=C(C#N)C(c2ccncc2)C(C#N)=C(N)O1
InChIInChI=1S/C16H16N4O/c1-16(2,3)14-11(8-17)13(10-4-6-20-7-5-10)12(9-18)15(19)21-14/h4-7,13H,19H2,1-3H3
InChIKeyRADYSNNCVSUORP-UHFFFAOYSA-N
XLogP2.71
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile (CID 3429320) is 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile is CC(C)(C)C1=C(C#N)C(c2ccncc2)C(C#N)=C(N)O1.
What is the InChIKey of 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile?
The InChIKey is RADYSNNCVSUORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-16(2,3)14-11(8-17)13(10-4-6-20-7-5-10)12(9-18)15(19)21-14/h4-7,13H,19H2,1-3H3.
What are the key properties of 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile?
2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-tert-butyl-4-pyridin-4-yl-4H-pyran-3,5-dicarbonitrile is sourced from PubChem (CID 3429320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).