[2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone

C18H20N2O2 — CID 163666667

IUPAC[2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone
SMILESO=C(c1cc2ccoc2cn1)C1CCC1[C@@H]1CC2CCC1N2
InChIInChI=1S/C18H20N2O2/c21-18(16-7-10-5-6-22-17(10)9-19-16)13-3-2-12(13)14-8-11-1-4-15(14)20-11/h5-7,9,11-15,20H,1-4,8H2/t11?,12?,13?,14-,15?/m0/s1
InChIKeyIZBLFJQJBCBOFS-IHXHZNKUSA-N
MW296.37 g/mol
LogP3.18
Rot. Bonds3

About [2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone

[2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone (PubChem CID 163666667) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone.

Molecular Properties

Compound Name[2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone
PubChem CID163666667
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone
SMILESO=C(c1cc2ccoc2cn1)C1CCC1[C@@H]1CC2CCC1N2
InChIInChI=1S/C18H20N2O2/c21-18(16-7-10-5-6-22-17(10)9-19-16)13-3-2-12(13)14-8-11-1-4-15(14)20-11/h5-7,9,11-15,20H,1-4,8H2/t11?,12?,13?,14-,15?/m0/s1
InChIKeyIZBLFJQJBCBOFS-IHXHZNKUSA-N
XLogP3.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone?
The IUPAC name of [2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone (CID 163666667) is [2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone.
What is the SMILES notation for [2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone?
The canonical SMILES for [2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone is O=C(c1cc2ccoc2cn1)C1CCC1[C@@H]1CC2CCC1N2.
What is the InChIKey of [2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone?
The InChIKey is IZBLFJQJBCBOFS-IHXHZNKUSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(16-7-10-5-6-22-17(10)9-19-16)13-3-2-12(13)14-8-11-1-4-15(14)20-11/h5-7,9,11-15,20H,1-4,8H2/t11?,12?,13?,14-,15?/m0/s1.
What are the key properties of [2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone?
[2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone is sourced from PubChem (CID 163666667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).