5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride

C15H14ClN5O2 — CID 53325980

IUPAC5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)o2)cn1
InChIInChI=1S/C15H13N5O2.ClH/c16-14(17)9-2-1-8(7-20-9)10-3-4-11(21-10)12-5-6-13(22-12)15(18)19;/h1-7H,(H3,16,17)(H3,18,19);1H
InChIKeyXPJHRLSGMZQFBR-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.59
Rot. Bonds4

About 5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride

5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride (PubChem CID 53325980) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride
PubChem CID53325980
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)o2)cn1
InChIInChI=1S/C15H13N5O2.ClH/c16-14(17)9-2-1-8(7-20-9)10-3-4-11(21-10)12-5-6-13(22-12)15(18)19;/h1-7H,(H3,16,17)(H3,18,19);1H
InChIKeyXPJHRLSGMZQFBR-UHFFFAOYSA-N
XLogP2.59
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.59
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 5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride?
The IUPAC name of 5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride (CID 53325980) is 5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)o2)cn1.
What is the InChIKey of 5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride?
The InChIKey is XPJHRLSGMZQFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2.ClH/c16-14(17)9-2-1-8(7-20-9)10-3-4-11(21-10)12-5-6-13(22-12)15(18)19;/h1-7H,(H3,16,17)(H3,18,19);1H.
What are the key properties of 5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride?
5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride has a molecular weight of 331.76 g/mol, XLogP of 2.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 53325980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).