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

C20H16FN3O2 — CID 3548331

IUPAC2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3cccc(F)c3)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H16FN3O2/c1-25-14-6-7-19(26-2)16(9-14)18-10-15(17(11-22)20(23)24-18)12-4-3-5-13(21)8-12/h3-10H,1-2H3,(H2,23,24)
InChIKeyRZBNGRPHNIERTO-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.03
Rot. Bonds4

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

2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 3548331) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
PubChem CID3548331
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3cccc(F)c3)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H16FN3O2/c1-25-14-6-7-19(26-2)16(9-14)18-10-15(17(11-22)20(23)24-18)12-4-3-5-13(21)8-12/h3-10H,1-2H3,(H2,23,24)
InChIKeyRZBNGRPHNIERTO-UHFFFAOYSA-N
XLogP4.03
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-amino-6-(3-fluorophenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5118237
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3557233
2-amino-6-(3-fluorophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5118716
2-amino-4-(3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230179
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405
2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
CID 4632780
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-6-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3369928

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile (CID 3548331) is 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile is COc1ccc(OC)c(-c2cc(-c3cccc(F)c3)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is RZBNGRPHNIERTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-25-14-6-7-19(26-2)16(9-14)18-10-15(17(11-22)20(23)24-18)12-4-3-5-13(21)8-12/h3-10H,1-2H3,(H2,23,24).
What are the key properties of 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile?
2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile has a molecular weight of 349.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3548331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).