5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile

C20H15FN2O2 — CID 3711167

IUPAC5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile
SMILESCC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccccc1F
InChIInChI=1S/C20H15FN2O2/c1-12(24)17-18(14-9-5-6-10-16(14)21)15(11-22)20(23)25-19(17)13-7-3-2-4-8-13/h2-10,18H,23H2,1H3
InChIKeyUJAMRWPIMHMSHA-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.63
Rot. Bonds3

About 5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile

5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile (PubChem CID 3711167) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile
PubChem CID3711167
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile
SMILESCC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccccc1F
InChIInChI=1S/C20H15FN2O2/c1-12(24)17-18(14-9-5-6-10-16(14)21)15(11-22)20(23)25-19(17)13-7-3-2-4-8-13/h2-10,18H,23H2,1H3
InChIKeyUJAMRWPIMHMSHA-UHFFFAOYSA-N
XLogP3.63
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile?
The IUPAC name of 5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile (CID 3711167) is 5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile is CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccccc1F.
What is the InChIKey of 5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile?
The InChIKey is UJAMRWPIMHMSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-12(24)17-18(14-9-5-6-10-16(14)21)15(11-22)20(23)25-19(17)13-7-3-2-4-8-13/h2-10,18H,23H2,1H3.
What are the key properties of 5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile?
5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile has a molecular weight of 334.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-amino-4-(2-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 3711167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).