2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile

C20H16FN3 — CID 5118538

IUPAC2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3cccc(F)c3)nc(N)c2C#N)c1
InChIInChI=1S/C20H16FN3/c1-12-6-7-13(2)16(8-12)17-10-19(24-20(23)18(17)11-22)14-4-3-5-15(21)9-14/h3-10H,1-2H3,(H2,23,24)
InChIKeyLDHSEJZTAUNLTK-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.63
Rot. Bonds2

About 2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile

2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 5118538) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
PubChem CID5118538
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3cccc(F)c3)nc(N)c2C#N)c1
InChIInChI=1S/C20H16FN3/c1-12-6-7-13(2)16(8-12)17-10-19(24-20(23)18(17)11-22)14-4-3-5-15(21)9-14/h3-10H,1-2H3,(H2,23,24)
InChIKeyLDHSEJZTAUNLTK-UHFFFAOYSA-N
XLogP4.63
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile (CID 5118538) is 2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile is Cc1ccc(C)c(-c2cc(-c3cccc(F)c3)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is LDHSEJZTAUNLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c1-12-6-7-13(2)16(8-12)17-10-19(24-20(23)18(17)11-22)14-4-3-5-15(21)9-14/h3-10H,1-2H3,(H2,23,24).
What are the key properties of 2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile?
2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile has a molecular weight of 317.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5118538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).