6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide

C13H16N4O — CID 143375023

IUPAC6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1oc2nc(C)ccc2c1N1CCCC1
InChIInChI=1S/C13H16N4O/c1-8-4-5-9-10(17-6-2-3-7-17)11(12(14)15)18-13(9)16-8/h4-5H,2-3,6-7H2,1H3,(H3,14,15)
InChIKeyCKBNJMISVHJDRE-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.02
Rot. Bonds2

About 6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide

6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide (PubChem CID 143375023) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide
PubChem CID143375023
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1oc2nc(C)ccc2c1N1CCCC1
InChIInChI=1S/C13H16N4O/c1-8-4-5-9-10(17-6-2-3-7-17)11(12(14)15)18-13(9)16-8/h4-5H,2-3,6-7H2,1H3,(H3,14,15)
InChIKeyCKBNJMISVHJDRE-UHFFFAOYSA-N
XLogP2.02
TPSA79.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
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-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide?
The IUPAC name of 6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide (CID 143375023) is 6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide.
What is the SMILES notation for 6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide?
The canonical SMILES for 6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide is [H]/N=C(\N)c1oc2nc(C)ccc2c1N1CCCC1.
What is the InChIKey of 6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide?
The InChIKey is CKBNJMISVHJDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-4-5-9-10(17-6-2-3-7-17)11(12(14)15)18-13(9)16-8/h4-5H,2-3,6-7H2,1H3,(H3,14,15).
What are the key properties of 6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide?
6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide has a molecular weight of 244.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide is sourced from PubChem (CID 143375023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).