N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide

C17H17N3O — CID 22565813

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide
SMILESC#Cc1cc2ccc(C(=O)NC3CC4CCC3N4)cn2c1
InChIInChI=1S/C17H17N3O/c1-2-11-7-14-5-3-12(10-20(14)9-11)17(21)19-16-8-13-4-6-15(16)18-13/h1,3,5,7,9-10,13,15-16,18H,4,6,8H2,(H,19,21)
InChIKeyLAIBRXCHVZQKNA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds2

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide (PubChem CID 22565813) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide
PubChem CID22565813
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide
SMILESC#Cc1cc2ccc(C(=O)NC3CC4CCC3N4)cn2c1
InChIInChI=1S/C17H17N3O/c1-2-11-7-14-5-3-12(10-20(14)9-11)17(21)19-16-8-13-4-6-15(16)18-13/h1,3,5,7,9-10,13,15-16,18H,4,6,8H2,(H,19,21)
InChIKeyLAIBRXCHVZQKNA-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide
CID 22565743
N-(7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 22565865
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 22566087
3-amino-N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-hydroxybenzamide
CID 59059436
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45087059
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-chloronaphthalene-2-carboxamide
CID 23598729
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloro-1-benzothiophene-5-carboxamide
CID 90872241
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-pyrrolidin-1-yl-1-benzofuran-5-carboxamide
CID 69362588
4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85078315
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2,1-benzothiazole-5-carboxamide
CID 91359908
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-sulfanyl-1-benzofuran-5-carboxamide
CID 91358573
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethenyl-1-benzothiophene-6-carboxamide
CID 10266720

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide (CID 22565813) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide is C#Cc1cc2ccc(C(=O)NC3CC4CCC3N4)cn2c1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide?
The InChIKey is LAIBRXCHVZQKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-11-7-14-5-3-12(10-20(14)9-11)17(21)19-16-8-13-4-6-15(16)18-13/h1,3,5,7,9-10,13,15-16,18H,4,6,8H2,(H,19,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide is sourced from PubChem (CID 22565813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).