N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide

C18H19N3O — CID 22565805

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide
SMILESC#Cc1ccc2ccc(C(=O)NC3CC4CCN(C4)C3)cn12
InChIInChI=1S/C18H19N3O/c1-2-16-5-6-17-4-3-14(11-21(16)17)18(22)19-15-9-13-7-8-20(10-13)12-15/h1,3-6,11,13,15H,7-10,12H2,(H,19,22)
InChIKeyITRIYCOZRSGOHC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.74
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide (PubChem CID 22565805) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide
PubChem CID22565805
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide
SMILESC#Cc1ccc2ccc(C(=O)NC3CC4CCN(C4)C3)cn12
InChIInChI=1S/C18H19N3O/c1-2-16-5-6-17-4-3-14(11-21(16)17)18(22)19-15-9-13-7-8-20(10-13)12-15/h1,3-6,11,13,15H,7-10,12H2,(H,19,22)
InChIKeyITRIYCOZRSGOHC-UHFFFAOYSA-N
XLogP1.74
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide
CID 10171612
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide
CID 22573759
N-(1-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 22313423
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573531
N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-6-ethynylpyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 87988346
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide
CID 22481716
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide
CID 10236585
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide
CID 22350324
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
CID 22350665
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 59985812

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide (CID 22565805) is N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide is C#Cc1ccc2ccc(C(=O)NC3CC4CCN(C4)C3)cn12.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide?
The InChIKey is ITRIYCOZRSGOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-16-5-6-17-4-3-14(11-21(16)17)18(22)19-15-9-13-7-8-20(10-13)12-15/h1,3-6,11,13,15H,7-10,12H2,(H,19,22).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide is sourced from PubChem (CID 22565805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).