2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane

C20H20FN3O — CID 142908415

IUPAC2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane
SMILESCC.CN(C)c1nc(-c2ccco2)cc(-c2ccccc2F)c1C#N
InChIInChI=1S/C18H14FN3O.C2H6/c1-22(2)18-14(11-20)13(12-6-3-4-7-15(12)19)10-16(21-18)17-8-5-9-23-17;1-2/h3-10H,1-2H3;1-2H3
InChIKeyXLNNITYSJGDYRW-UHFFFAOYSA-N
MW337.40 g/mol
LogP5.11
Rot. Bonds3

About 2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane

2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane (PubChem CID 142908415) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane.

Molecular Properties

Compound Name2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane
PubChem CID142908415
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane
SMILESCC.CN(C)c1nc(-c2ccco2)cc(-c2ccccc2F)c1C#N
InChIInChI=1S/C18H14FN3O.C2H6/c1-22(2)18-14(11-20)13(12-6-3-4-7-15(12)19)10-16(21-18)17-8-5-9-23-17;1-2/h3-10H,1-2H3;1-2H3
InChIKeyXLNNITYSJGDYRW-UHFFFAOYSA-N
XLogP5.11
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane?
The IUPAC name of 2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane (CID 142908415) is 2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane.
What is the SMILES notation for 2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane?
The canonical SMILES for 2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane is CC.CN(C)c1nc(-c2ccco2)cc(-c2ccccc2F)c1C#N.
What is the InChIKey of 2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane?
The InChIKey is XLNNITYSJGDYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O.C2H6/c1-22(2)18-14(11-20)13(12-6-3-4-7-15(12)19)10-16(21-18)17-8-5-9-23-17;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of 2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane?
2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane has a molecular weight of 337.40 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile;ethane is sourced from PubChem (CID 142908415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).