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

C17H17N3O2 — CID 22389154

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide
SMILESC#Cc1coc2cc(C(=O)NC3CC4CCN(C4)C3)ncc12
InChIInChI=1S/C17H17N3O2/c1-2-12-10-22-16-6-15(18-7-14(12)16)17(21)19-13-5-11-3-4-20(8-11)9-13/h1,6-7,10-11,13H,3-5,8-9H2,(H,19,21)
InChIKeyZRUFKHQMYJCMSX-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.63
Rot. Bonds2

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

N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide (PubChem CID 22389154) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide
PubChem CID22389154
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide
SMILESC#Cc1coc2cc(C(=O)NC3CC4CCN(C4)C3)ncc12
InChIInChI=1S/C17H17N3O2/c1-2-12-10-22-16-6-15(18-7-14(12)16)17(21)19-13-5-11-3-4-20(8-11)9-13/h1,6-7,10-11,13H,3-5,8-9H2,(H,19,21)
InChIKeyZRUFKHQMYJCMSX-UHFFFAOYSA-N
XLogP1.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide
CID 66815146
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 66814299
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66814602
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
CID 66814653
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide
CID 87166132
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide
CID 66814815
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-thiomorpholin-4-ylfuro[2,3-c]pyridine-5-carboxamide
CID 66814917
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(morpholine-4-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 66814601
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 22389418

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide (CID 22389154) is N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide is C#Cc1coc2cc(C(=O)NC3CC4CCN(C4)C3)ncc12.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide?
The InChIKey is ZRUFKHQMYJCMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-12-10-22-16-6-15(18-7-14(12)16)17(21)19-13-5-11-3-4-20(8-11)9-13/h1,6-7,10-11,13H,3-5,8-9H2,(H,19,21).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 22389154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).