N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide

C26H20N8O — CID 56675392

IUPACN'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide
SMILESN/C(=N\c1ccc(-c2ccc(-c3ccc(/N=C(\N)c4cnccn4)cc3)o2)cc1)c1cnccn1
InChIInChI=1S/C26H20N8O/c27-25(21-15-29-11-13-31-21)33-19-5-1-17(2-6-19)23-9-10-24(35-23)18-3-7-20(8-4-18)34-26(28)22-16-30-12-14-32-22/h1-16H,(H2,27,33)(H2,28,34)
InChIKeyJXLMULDZGLQOFK-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.27
Rot. Bonds6

About N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide

N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide (PubChem CID 56675392) has the molecular formula C26H20N8O and a molecular weight of 460.50 g/mol. Its IUPAC name is N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide
PubChem CID56675392
Molecular FormulaC26H20N8O
Molecular Weight460.50 g/mol
Exact Mass460.18
IUPAC NameN'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide
SMILESN/C(=N\c1ccc(-c2ccc(-c3ccc(/N=C(\N)c4cnccn4)cc3)o2)cc1)c1cnccn1
InChIInChI=1S/C26H20N8O/c27-25(21-15-29-11-13-31-21)33-19-5-1-17(2-6-19)23-9-10-24(35-23)18-3-7-20(8-4-18)34-26(28)22-16-30-12-14-32-22/h1-16H,(H2,27,33)(H2,28,34)
InChIKeyJXLMULDZGLQOFK-UHFFFAOYSA-N
XLogP4.27
TPSA141.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide?
The IUPAC name of N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide (CID 56675392) is N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide is N/C(=N\c1ccc(-c2ccc(-c3ccc(/N=C(\N)c4cnccn4)cc3)o2)cc1)c1cnccn1.
What is the InChIKey of N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide?
The InChIKey is JXLMULDZGLQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O/c27-25(21-15-29-11-13-31-21)33-19-5-1-17(2-6-19)23-9-10-24(35-23)18-3-7-20(8-4-18)34-26(28)22-16-30-12-14-32-22/h1-16H,(H2,27,33)(H2,28,34).
What are the key properties of N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide?
N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide has a molecular weight of 460.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide is sourced from PubChem (CID 56675392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).