N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide

C16H16N4O2 — CID 66815146

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide
SMILESN#Cc1coc2cc(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)ncc12
InChIInChI=1S/C16H16N4O2/c17-5-11-9-22-15-4-14(18-6-13(11)15)16(21)19-12-3-10-1-2-20(7-10)8-12/h4,6,9-10,12H,1-3,7-8H2,(H,19,21)/t10-,12-/m1/s1
InChIKeyXDUJRFFQHLFEEE-ZYHUDNBSSA-N
MW296.33 g/mol
LogP1.52
Rot. Bonds2

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide (PubChem CID 66815146) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide
PubChem CID66815146
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide
SMILESN#Cc1coc2cc(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)ncc12
InChIInChI=1S/C16H16N4O2/c17-5-11-9-22-15-4-14(18-6-13(11)15)16(21)19-12-3-10-1-2-20(7-10)8-12/h4,6,9-10,12H,1-3,7-8H2,(H,19,21)/t10-,12-/m1/s1
InChIKeyXDUJRFFQHLFEEE-ZYHUDNBSSA-N
XLogP1.52
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-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 N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide (CID 66815146) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide is N#Cc1coc2cc(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)ncc12.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide?
The InChIKey is XDUJRFFQHLFEEE-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-5-11-9-22-15-4-14(18-6-13(11)15)16(21)19-12-3-10-1-2-20(7-10)8-12/h4,6,9-10,12H,1-3,7-8H2,(H,19,21)/t10-,12-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 66815146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).