2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile

C12H15N3 — CID 2755037

IUPAC2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(C(C)C)C(C#N)=C(C)N1
InChIInChI=1S/C12H15N3/c1-7(2)12-10(5-13)8(3)15-9(4)11(12)6-14/h7,12,15H,1-4H3
InChIKeyOUSPFLOWFLFMEL-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.46
Rot. Bonds1

About 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile

2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 2755037) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID2755037
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(C(C)C)C(C#N)=C(C)N1
InChIInChI=1S/C12H15N3/c1-7(2)12-10(5-13)8(3)15-9(4)11(12)6-14/h7,12,15H,1-4H3
InChIKeyOUSPFLOWFLFMEL-UHFFFAOYSA-N
XLogP2.46
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 2755037) is 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(C(C)C)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is OUSPFLOWFLFMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-7(2)12-10(5-13)8(3)15-9(4)11(12)6-14/h7,12,15H,1-4H3.
What are the key properties of 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2755037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).