N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide

C17H17N3O — CID 10171612

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide
SMILESC#Cc1ccc2ccc(C(=O)NC3CC4CNC3C4)cn12
InChIInChI=1S/C17H17N3O/c1-2-13-5-6-14-4-3-12(10-20(13)14)17(21)19-16-8-11-7-15(16)18-9-11/h1,3-6,10-11,15-16,18H,7-9H2,(H,19,21)
InChIKeyIVXHZIOLUQLQOF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.40
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide (PubChem CID 10171612) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide
PubChem CID10171612
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide
SMILESC#Cc1ccc2ccc(C(=O)NC3CC4CNC3C4)cn12
InChIInChI=1S/C17H17N3O/c1-2-13-5-6-14-4-3-12(10-20(13)14)17(21)19-16-8-11-7-15(16)18-9-11/h1,3-6,10-11,15-16,18H,7-9H2,(H,19,21)
InChIKeyIVXHZIOLUQLQOF-UHFFFAOYSA-N
XLogP1.40
TPSA45.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide (CID 10171612) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide is C#Cc1ccc2ccc(C(=O)NC3CC4CNC3C4)cn12.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide?
The InChIKey is IVXHZIOLUQLQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-13-5-6-14-4-3-12(10-20(13)14)17(21)19-16-8-11-7-15(16)18-9-11/h1,3-6,10-11,15-16,18H,7-9H2,(H,19,21).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide is sourced from PubChem (CID 10171612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).