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

C15H13N3 — CID 594143

IUPAC2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccccc2)C(C#N)=C(C)N1
InChIInChI=1S/C15H13N3/c1-10-13(8-16)15(12-6-4-3-5-7-12)14(9-17)11(2)18-10/h3-7,15,18H,1-2H3
InChIKeyBXCNFVJAURPCSP-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.97
Rot. Bonds1

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

2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 594143) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID594143
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccccc2)C(C#N)=C(C)N1
InChIInChI=1S/C15H13N3/c1-10-13(8-16)15(12-6-4-3-5-7-12)14(9-17)11(2)18-10/h3-7,15,18H,1-2H3
InChIKeyBXCNFVJAURPCSP-UHFFFAOYSA-N
XLogP2.97
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.97
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-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 594143) is 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccccc2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is BXCNFVJAURPCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-10-13(8-16)15(12-6-4-3-5-7-12)14(9-17)11(2)18-10/h3-7,15,18H,1-2H3.
What are the key properties of 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 235.29 g/mol, XLogP of 2.97, 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-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 594143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).