N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide

C16H14F3N3O3 — CID 91249013

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc2oc(C(=O)C(F)(F)F)cc2cn1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)14(23)13-3-7-6-20-11(5-12(7)25-13)15(24)22-10-4-8-1-2-9(10)21-8/h3,5-6,8-10,21H,1-2,4H2,(H,22,24)/t8-,9+,10-/m1/s1
InChIKeyGCXKYIYAMZPQBD-KXUCPTDWSA-N
MW353.30 g/mol
LogP2.20
Rot. Bonds3

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide (PubChem CID 91249013) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide
PubChem CID91249013
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc2oc(C(=O)C(F)(F)F)cc2cn1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)14(23)13-3-7-6-20-11(5-12(7)25-13)15(24)22-10-4-8-1-2-9(10)21-8/h3,5-6,8-10,21H,1-2,4H2,(H,22,24)/t8-,9+,10-/m1/s1
InChIKeyGCXKYIYAMZPQBD-KXUCPTDWSA-N
XLogP2.20
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide (CID 91249013) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc2oc(C(=O)C(F)(F)F)cc2cn1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide?
The InChIKey is GCXKYIYAMZPQBD-KXUCPTDWSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c17-16(18,19)14(23)13-3-7-6-20-11(5-12(7)25-13)15(24)22-10-4-8-1-2-9(10)21-8/h3,5-6,8-10,21H,1-2,4H2,(H,22,24)/t8-,9+,10-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 91249013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).