6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide

C17H15N5O — CID 10946678

IUPAC6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)o2)nc1
InChIInChI=1S/C17H15N5O/c18-16(19)11-3-1-2-10(8-11)14-6-7-15(23-14)13-5-4-12(9-22-13)17(20)21/h1-9H,(H3,18,19)(H3,20,21)
InChIKeyKWPRZXMCINGIBT-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.58
Rot. Bonds4

About 6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide

6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide (PubChem CID 10946678) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide
PubChem CID10946678
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)o2)nc1
InChIInChI=1S/C17H15N5O/c18-16(19)11-3-1-2-10(8-11)14-6-7-15(23-14)13-5-4-12(9-22-13)17(20)21/h1-9H,(H3,18,19)(H3,20,21)
InChIKeyKWPRZXMCINGIBT-UHFFFAOYSA-N
XLogP2.58
TPSA125.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.58
H-Bond Donors ≤ 54
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 6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide?
The IUPAC name of 6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide (CID 10946678) is 6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)o2)nc1.
What is the InChIKey of 6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide?
The InChIKey is KWPRZXMCINGIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-16(19)11-3-1-2-10(8-11)14-6-7-15(23-14)13-5-4-12(9-22-13)17(20)21/h1-9H,(H3,18,19)(H3,20,21).
What are the key properties of 6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide?
6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide has a molecular weight of 305.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 10946678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).