N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide

C24H21N3O2 — CID 127029144

IUPACN'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide
SMILESCCOc1cc(/N=C(\N)c2ccccn2)ccc1-c1ccc(-c2ccccc2)o1
InChIInChI=1S/C24H21N3O2/c1-2-28-23-16-18(27-24(25)20-10-6-7-15-26-20)11-12-19(23)22-14-13-21(29-22)17-8-4-3-5-9-17/h3-16H,2H2,1H3,(H2,25,27)
InChIKeyVWILQQBBHZLSTR-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.44
Rot. Bonds6

About N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide

N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide (PubChem CID 127029144) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide
PubChem CID127029144
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide
SMILESCCOc1cc(/N=C(\N)c2ccccn2)ccc1-c1ccc(-c2ccccc2)o1
InChIInChI=1S/C24H21N3O2/c1-2-28-23-16-18(27-24(25)20-10-6-7-15-26-20)11-12-19(23)22-14-13-21(29-22)17-8-4-3-5-9-17/h3-16H,2H2,1H3,(H2,25,27)
InChIKeyVWILQQBBHZLSTR-UHFFFAOYSA-N
XLogP5.44
TPSA73.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide?
The IUPAC name of N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide (CID 127029144) is N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide is CCOc1cc(/N=C(\N)c2ccccn2)ccc1-c1ccc(-c2ccccc2)o1.
What is the InChIKey of N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide?
The InChIKey is VWILQQBBHZLSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-28-23-16-18(27-24(25)20-10-6-7-15-26-20)11-12-19(23)22-14-13-21(29-22)17-8-4-3-5-9-17/h3-16H,2H2,1H3,(H2,25,27).
What are the key properties of N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide?
N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide has a molecular weight of 383.45 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-ethoxy-4-(5-phenylfuran-2-yl)phenyl]pyridine-2-carboximidamide is sourced from PubChem (CID 127029144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).