5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile

C20H16FN3O2 — CID 24859981

IUPAC5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2cccc(F)c2)cc1OC
InChIInChI=1S/C20H16FN3O2/c1-25-18-7-6-13(8-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-5-3-4-15(21)9-16/h3-9,11-12H,1-2H3,(H,23,24)
InChIKeyRDARYXGEOGWBIH-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.52
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile

5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile (PubChem CID 24859981) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile
PubChem CID24859981
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2cccc(F)c2)cc1OC
InChIInChI=1S/C20H16FN3O2/c1-25-18-7-6-13(8-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-5-3-4-15(21)9-16/h3-9,11-12H,1-2H3,(H,23,24)
InChIKeyRDARYXGEOGWBIH-UHFFFAOYSA-N
XLogP4.52
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile (CID 24859981) is 5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2Nc2cccc(F)c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile?
The InChIKey is RDARYXGEOGWBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-25-18-7-6-13(8-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-5-3-4-15(21)9-16/h3-9,11-12H,1-2H3,(H,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile?
5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile has a molecular weight of 349.37 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 24859981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).