2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile

C19H15N3S — CID 69272002

IUPAC2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2cccc(-c3cccs3)c2)C(C#N)=C(C)N1
InChIInChI=1S/C19H15N3S/c1-12-16(10-20)19(17(11-21)13(2)22-12)15-6-3-5-14(9-15)18-7-4-8-23-18/h3-9,19,22H,1-2H3
InChIKeyIUFHJMKWEMLWOS-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.70
Rot. Bonds2

About 2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile

2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 69272002) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID69272002
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2cccc(-c3cccs3)c2)C(C#N)=C(C)N1
InChIInChI=1S/C19H15N3S/c1-12-16(10-20)19(17(11-21)13(2)22-12)15-6-3-5-14(9-15)18-7-4-8-23-18/h3-9,19,22H,1-2H3
InChIKeyIUFHJMKWEMLWOS-UHFFFAOYSA-N
XLogP4.70
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.70
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-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 69272002) is 2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2cccc(-c3cccs3)c2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is IUFHJMKWEMLWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-12-16(10-20)19(17(11-21)13(2)22-12)15-6-3-5-14(9-15)18-7-4-8-23-18/h3-9,19,22H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 317.42 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 69272002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).