2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile

C16H13FN4O — CID 650585

IUPAC2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile
SMILESCCCOc1nc(N)c(C#N)c(-c2ccccc2F)c1C#N
InChIInChI=1S/C16H13FN4O/c1-2-7-22-16-12(9-19)14(11(8-18)15(20)21-16)10-5-3-4-6-13(10)17/h3-6H,2,7H2,1H3,(H2,20,21)
InChIKeyROBPPIZXVRAKTK-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.00
Rot. Bonds4

About 2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile

2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile (PubChem CID 650585) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile
PubChem CID650585
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile
SMILESCCCOc1nc(N)c(C#N)c(-c2ccccc2F)c1C#N
InChIInChI=1S/C16H13FN4O/c1-2-7-22-16-12(9-19)14(11(8-18)15(20)21-16)10-5-3-4-6-13(10)17/h3-6H,2,7H2,1H3,(H2,20,21)
InChIKeyROBPPIZXVRAKTK-UHFFFAOYSA-N
XLogP3.00
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile (CID 650585) is 2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile is CCCOc1nc(N)c(C#N)c(-c2ccccc2F)c1C#N.
What is the InChIKey of 2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile?
The InChIKey is ROBPPIZXVRAKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-2-7-22-16-12(9-19)14(11(8-18)15(20)21-16)10-5-3-4-6-13(10)17/h3-6H,2,7H2,1H3,(H2,20,21).
What are the key properties of 2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile?
2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile has a molecular weight of 296.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-fluorophenyl)-6-propoxypyridine-3,5-dicarbonitrile is sourced from PubChem (CID 650585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).