2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

C17H20N4O3 — CID 66814808

IUPAC2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
SMILESCC(=O)Nc1cc2cc(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)ncc2o1
InChIInChI=1S/C17H20N4O3/c1-10(22)19-16-6-12-5-14(18-7-15(12)24-16)17(23)20-13-4-11-2-3-21(8-11)9-13/h5-7,11,13H,2-4,8-9H2,1H3,(H,19,22)(H,20,23)/t11-,13-/m1/s1
InChIKeyKJCYETRYEIDYAB-DGCLKSJQSA-N
MW328.37 g/mol
LogP1.61
Rot. Bonds3

About 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide (PubChem CID 66814808) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
PubChem CID66814808
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
SMILESCC(=O)Nc1cc2cc(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)ncc2o1
InChIInChI=1S/C17H20N4O3/c1-10(22)19-16-6-12-5-14(18-7-15(12)24-16)17(23)20-13-4-11-2-3-21(8-11)9-13/h5-7,11,13H,2-4,8-9H2,1H3,(H,19,22)(H,20,23)/t11-,13-/m1/s1
InChIKeyKJCYETRYEIDYAB-DGCLKSJQSA-N
XLogP1.61
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66815107
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-morpholin-4-ylfuro[2,3-c]pyridine-5-carboxamide
CID 66814828
N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(pyrrolidine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 22389190
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide
CID 66815150
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-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide
CID 66814350
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 66814884
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-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

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide (CID 66814808) is 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide is CC(=O)Nc1cc2cc(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)ncc2o1.
What is the InChIKey of 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is KJCYETRYEIDYAB-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10(22)19-16-6-12-5-14(18-7-15(12)24-16)17(23)20-13-4-11-2-3-21(8-11)9-13/h5-7,11,13H,2-4,8-9H2,1H3,(H,19,22)(H,20,23)/t11-,13-/m1/s1.
What are the key properties of 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66814808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).