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

C13H11N3S — CID 617594

IUPAC2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2cccs2)C(C#N)=C(C)N1
InChIInChI=1S/C13H11N3S/c1-8-10(6-14)13(12-4-3-5-17-12)11(7-15)9(2)16-8/h3-5,13,16H,1-2H3
InChIKeyRBKZPIRXHDMMBW-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.03
Rot. Bonds1

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

2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 617594) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID617594
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2cccs2)C(C#N)=C(C)N1
InChIInChI=1S/C13H11N3S/c1-8-10(6-14)13(12-4-3-5-17-12)11(7-15)9(2)16-8/h3-5,13,16H,1-2H3
InChIKeyRBKZPIRXHDMMBW-UHFFFAOYSA-N
XLogP3.03
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 617594) is 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2cccs2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is RBKZPIRXHDMMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-8-10(6-14)13(12-4-3-5-17-12)11(7-15)9(2)16-8/h3-5,13,16H,1-2H3.
What are the key properties of 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 241.32 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 617594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).