(4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C23H21F3N4O2 — CID 19161748

IUPAC(4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)n1
InChIInChI=1S/C23H21F3N4O2/c1-13-6-3-11-19(27-13)28-22(31)21-14(2)20-17(9-5-10-18(20)32-21)30-29-16-8-4-7-15(12-16)23(24,25)26/h3-4,6-8,11-12,29H,5,9-10H2,1-2H3,(H,27,28,31)/b30-17+
InChIKeyIFIGJVJMMVMICS-OCSSWDANSA-N
MW442.44 g/mol
LogP5.72
Rot. Bonds4

About (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide

(4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 19161748) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID19161748
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name(4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)n1
InChIInChI=1S/C23H21F3N4O2/c1-13-6-3-11-19(27-13)28-22(31)21-14(2)20-17(9-5-10-18(20)32-21)30-29-16-8-4-7-15(12-16)23(24,25)26/h3-4,6-8,11-12,29H,5,9-10H2,1-2H3,(H,27,28,31)/b30-17+
InChIKeyIFIGJVJMMVMICS-OCSSWDANSA-N
XLogP5.72
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 19161748) is (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)n1.
What is the InChIKey of (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is IFIGJVJMMVMICS-OCSSWDANSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-13-6-3-11-19(27-13)28-22(31)21-14(2)20-17(9-5-10-18(20)32-21)30-29-16-8-4-7-15(12-16)23(24,25)26/h3-4,6-8,11-12,29H,5,9-10H2,1-2H3,(H,27,28,31)/b30-17+.
What are the key properties of (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
(4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methyl-N-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19161748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).