N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide

C16H15N3O2 — CID 90717860

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide
SMILESC#Cc1cc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2o1
InChIInChI=1S/C16H15N3O2/c1-2-11-5-9-8-17-14(7-15(9)21-11)16(20)19-13-6-10-3-4-12(13)18-10/h1,5,7-8,10,12-13,18H,3-4,6H2,(H,19,20)/t10-,12+,13-/m1/s1
InChIKeyCNIABSYAVGJONM-KGYLQXTDSA-N
MW281.31 g/mol
LogP1.43
Rot. Bonds2

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide (PubChem CID 90717860) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide
PubChem CID90717860
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide
SMILESC#Cc1cc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2o1
InChIInChI=1S/C16H15N3O2/c1-2-11-5-9-8-17-14(7-15(9)21-11)16(20)19-13-6-10-3-4-12(13)18-10/h1,5,7-8,10,12-13,18H,3-4,6H2,(H,19,20)/t10-,12+,13-/m1/s1
InChIKeyCNIABSYAVGJONM-KGYLQXTDSA-N
XLogP1.43
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide (CID 90717860) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide is C#Cc1cc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2o1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide?
The InChIKey is CNIABSYAVGJONM-KGYLQXTDSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-11-5-9-8-17-14(7-15(9)21-11)16(20)19-13-6-10-3-4-12(13)18-10/h1,5,7-8,10,12-13,18H,3-4,6H2,(H,19,20)/t10-,12+,13-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 90717860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).