1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide

C8H14N2O2 — CID 175691811

IUPAC1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide
SMILESNC(=O)C1CNC2COCC2C1
InChIInChI=1S/C8H14N2O2/c9-8(11)5-1-6-3-12-4-7(6)10-2-5/h5-7,10H,1-4H2,(H2,9,11)
InChIKeyPNTVFASHLZPABZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.90
Rot. Bonds1

About 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide

1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide (PubChem CID 175691811) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide
PubChem CID175691811
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide
SMILESNC(=O)C1CNC2COCC2C1
InChIInChI=1S/C8H14N2O2/c9-8(11)5-1-6-3-12-4-7(6)10-2-5/h5-7,10H,1-4H2,(H2,9,11)
InChIKeyPNTVFASHLZPABZ-UHFFFAOYSA-N
XLogP-0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide (CID 175691811) is 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide is NC(=O)C1CNC2COCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide?
The InChIKey is PNTVFASHLZPABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-8(11)5-1-6-3-12-4-7(6)10-2-5/h5-7,10H,1-4H2,(H2,9,11).
What are the key properties of 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide?
1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 175691811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).