(8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C23H19F2N3O — CID 5285863

About (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

(8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 5285863) has the molecular formula C23H19F2N3O and a molecular weight of 391.42 g/mol. Its IUPAC name is (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 5285863
• Molecular Formula: C23H19F2N3O
• Molecular Weight: 391.42 g/mol
• Exact Mass: 391.15
• IUPAC Name: (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
• SMILES: CN1CC2=C(OC(N)=C(C#N)C2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1
• InChI: InChI=1S/C23H19F2N3O/c1-28-12-16(8-14-4-2-6-17(24)9-14)22-20(13-28)21(19(11-26)23(27)29-22)15-5-3-7-18(25)10-15/h2-10,21H,12-13,27H2,1H3/b16-8+
• InChIKey: ABJNAKNMXMXAFN-LZYBPNLTSA-N
• XLogP: 4.06
• TPSA: 62.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.42
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dhp_amino_CN_A(13)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 5285863) is (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CN1CC2=C(OC(N)=C(C#N)C2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1.

What is the InChIKey of (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The InChIKey is ABJNAKNMXMXAFN-LZYBPNLTSA-N. The full InChI is InChI=1S/C23H19F2N3O/c1-28-12-16(8-14-4-2-6-17(24)9-14)22-20(13-28)21(19(11-26)23(27)29-22)15-5-3-7-18(25)10-15/h2-10,21H,12-13,27H2,1H3/b16-8+.

What are the key properties of (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

(8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 391.42 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 5285863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).