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

C20H16N6O2 — CID 23156961

IUPAC6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/[H])cn4)o3)o2)nc1
InChIInChI=1S/C20H16N6O2/c21-19(22)11-1-3-13(25-9-11)15-5-7-17(27-15)18-8-6-16(28-18)14-4-2-12(10-26-14)20(23)24/h1-10H,(H3,21,22)(H3,23,24)
InChIKeyFAOLLIBMTHLUNT-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.23
Rot. Bonds5

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

6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide (PubChem CID 23156961) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide
PubChem CID23156961
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/[H])cn4)o3)o2)nc1
InChIInChI=1S/C20H16N6O2/c21-19(22)11-1-3-13(25-9-11)15-5-7-17(27-15)18-8-6-16(28-18)14-4-2-12(10-26-14)20(23)24/h1-10H,(H3,21,22)(H3,23,24)
InChIKeyFAOLLIBMTHLUNT-UHFFFAOYSA-N
XLogP3.23
TPSA151.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 118752989
CID 118752989
CID 53325980
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CID 9817976
CID 9817976
CID 10022614
CID 10022614
CID 10870488
CID 10870488
CID 44567853
CID 44567853
CID 136192876
CID 136192876
CID 10946678
CID 10946678
CID 53322818
CID 53322818
CID 23156949
CID 23156949
CID 44244515
CID 44244515
CID 44452500
CID 44452500

Frequently Asked Questions

What is the IUPAC name of 6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide?
The IUPAC name of 6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide (CID 23156961) is 6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/[H])cn4)o3)o2)nc1.
What is the InChIKey of 6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide?
The InChIKey is FAOLLIBMTHLUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c21-19(22)11-1-3-13(25-9-11)15-5-7-17(27-15)18-8-6-16(28-18)14-4-2-12(10-26-14)20(23)24/h1-10H,(H3,21,22)(H3,23,24).
What are the key properties of 6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide?
6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide has a molecular weight of 372.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[5-(5-carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 23156961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).