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

C24H21F2N3O — CID 6274821

IUPAC(8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCN1CC2=C(OC(N)=C(C#N)C2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1
InChIInChI=1S/C24H21F2N3O/c1-2-29-13-17(9-15-5-3-7-18(25)10-15)23-21(14-29)22(20(12-27)24(28)30-23)16-6-4-8-19(26)11-16/h3-11,22H,2,13-14,28H2,1H3/b17-9+
InChIKeyHVCYFHONZUOHAC-RQZCQDPDSA-N
MW405.45 g/mol
LogP4.45
Rot. Bonds3

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

(8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 6274821) has the molecular formula C24H21F2N3O and a molecular weight of 405.45 g/mol. Its IUPAC name is (8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID6274821
Molecular FormulaC24H21F2N3O
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCN1CC2=C(OC(N)=C(C#N)C2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1
InChIInChI=1S/C24H21F2N3O/c1-2-29-13-17(9-15-5-3-7-18(25)10-15)23-21(14-29)22(20(12-27)24(28)30-23)16-6-4-8-19(26)11-16/h3-11,22H,2,13-14,28H2,1H3/b17-9+
InChIKeyHVCYFHONZUOHAC-RQZCQDPDSA-N
XLogP4.45
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 6274821) is (8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCN1CC2=C(OC(N)=C(C#N)C2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1.
What is the InChIKey of (8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is HVCYFHONZUOHAC-RQZCQDPDSA-N. The full InChI is InChI=1S/C24H21F2N3O/c1-2-29-13-17(9-15-5-3-7-18(25)10-15)23-21(14-29)22(20(12-27)24(28)30-23)16-6-4-8-19(26)11-16/h3-11,22H,2,13-14,28H2,1H3/b17-9+.
What are the key properties of (8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
(8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 405.45 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 6274821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).