3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

C18H23N3O2 — CID 10267724

IUPAC3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
SMILESCCc1coc2cnc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc12
InChIInChI=1S/C18H23N3O2/c1-3-12-10-23-16-9-19-15(8-14(12)16)18(22)20-17-11(2)21-6-4-13(17)5-7-21/h8-11,13,17H,3-7H2,1-2H3,(H,20,22)/t11-,17-/m0/s1
InChIKeyIFWAAKADLPKOJB-GTNSWQLSSA-N
MW313.40 g/mol
LogP2.60
Rot. Bonds3

About 3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide (PubChem CID 10267724) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
PubChem CID10267724
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
SMILESCCc1coc2cnc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc12
InChIInChI=1S/C18H23N3O2/c1-3-12-10-23-16-9-19-15(8-14(12)16)18(22)20-17-11(2)21-6-4-13(17)5-7-21/h8-11,13,17H,3-7H2,1-2H3,(H,20,22)/t11-,17-/m0/s1
InChIKeyIFWAAKADLPKOJB-GTNSWQLSSA-N
XLogP2.60
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide (CID 10267724) is 3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide is CCc1coc2cnc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc12.
What is the InChIKey of 3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is IFWAAKADLPKOJB-GTNSWQLSSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-12-10-23-16-9-19-15(8-14(12)16)18(22)20-17-11(2)21-6-4-13(17)5-7-21/h8-11,13,17H,3-7H2,1-2H3,(H,20,22)/t11-,17-/m0/s1.
What are the key properties of 3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 10267724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).