N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide

C30H26N6O — CID 56681933

About N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide

N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide (PubChem CID 56681933) has the molecular formula C30H26N6O and a molecular weight of 486.58 g/mol. Its IUPAC name is N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide.

Molecular Properties

• Compound Name: N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide
• PubChem CID: 56681933
• Molecular Formula: C30H26N6O
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.22
• IUPAC Name: N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide
• SMILES: Cc1c(-c2ccc(/N=C(\N)c3ccccn3)cc2)oc(-c2ccc(/N=C(\N)c3ccccn3)cc2)c1C
• InChI: InChI=1S/C30H26N6O/c1-19-20(2)28(22-11-15-24(16-12-22)36-30(32)26-8-4-6-18-34-26)37-27(19)21-9-13-23(14-10-21)35-29(31)25-7-3-5-17-33-25/h3-18H,1-2H3,(H2,31,35)(H2,32,36)
• InChIKey: XDBSFAGYXQGEFB-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 115.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide?

The IUPAC name of N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide (CID 56681933) is N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide.

What is the SMILES notation for N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide?

The canonical SMILES for N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide is Cc1c(-c2ccc(/N=C(\N)c3ccccn3)cc2)oc(-c2ccc(/N=C(\N)c3ccccn3)cc2)c1C.

What is the InChIKey of N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide?

The InChIKey is XDBSFAGYXQGEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O/c1-19-20(2)28(22-11-15-24(16-12-22)36-30(32)26-8-4-6-18-34-26)37-27(19)21-9-13-23(14-10-21)35-29(31)25-7-3-5-17-33-25/h3-18H,1-2H3,(H2,31,35)(H2,32,36).

What are the key properties of N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide?

N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide has a molecular weight of 486.58 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-3,4-dimethylfuran-2-yl]phenyl]pyridine-2-carboximidamide is sourced from PubChem (CID 56681933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).