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

C16H15N5O2 — CID 53322819

IUPAC6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])o3)o2)nc1
InChIInChI=1S/C16H15N5O2/c17-15(18)9-1-2-10(21-8-9)7-11-3-4-12(22-11)13-5-6-14(23-13)16(19)20/h1-6,8H,7H2,(H3,17,18)(H3,19,20)
InChIKeyLSXUOQMNZQRFHD-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.09
Rot. Bonds5

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

6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide (PubChem CID 53322819) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide
PubChem CID53322819
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])o3)o2)nc1
InChIInChI=1S/C16H15N5O2/c17-15(18)9-1-2-10(21-8-9)7-11-3-4-12(22-11)13-5-6-14(23-13)16(19)20/h1-6,8H,7H2,(H3,17,18)(H3,19,20)
InChIKeyLSXUOQMNZQRFHD-UHFFFAOYSA-N
XLogP2.09
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide?
The IUPAC name of 6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide (CID 53322819) is 6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])o3)o2)nc1.
What is the InChIKey of 6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide?
The InChIKey is LSXUOQMNZQRFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-15(18)9-1-2-10(21-8-9)7-11-3-4-12(22-11)13-5-6-14(23-13)16(19)20/h1-6,8H,7H2,(H3,17,18)(H3,19,20).
What are the key properties of 6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide?
6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide has a molecular weight of 309.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide is sourced from PubChem (CID 53322819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).