2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile

C12H15N3 — CID 3630864

IUPAC2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCCCC1C(C#N)=C(C)NC(C)=C1C#N
InChIInChI=1S/C12H15N3/c1-4-5-10-11(6-13)8(2)15-9(3)12(10)7-14/h10,15H,4-5H2,1-3H3
InChIKeyONGZUKATEGOGAI-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.60
Rot. Bonds2

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

2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 3630864) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID3630864
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCCCC1C(C#N)=C(C)NC(C)=C1C#N
InChIInChI=1S/C12H15N3/c1-4-5-10-11(6-13)8(2)15-9(3)12(10)7-14/h10,15H,4-5H2,1-3H3
InChIKeyONGZUKATEGOGAI-UHFFFAOYSA-N
XLogP2.60
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.60
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-propyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 3630864) is 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile is CCCC1C(C#N)=C(C)NC(C)=C1C#N.
What is the InChIKey of 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is ONGZUKATEGOGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-4-5-10-11(6-13)8(2)15-9(3)12(10)7-14/h10,15H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3630864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).