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

C16H16F3N3O2 — CID 66814381

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2cc(C(F)(F)F)oc2cn1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)14-5-10-4-12(20-6-13(10)24-14)15(23)21-11-3-9-1-2-22(7-9)8-11/h4-6,9,11H,1-3,7-8H2,(H,21,23)/t9-,11+/m0/s1
InChIKeyJJXXPSSVMROTBY-GXSJLCMTSA-N
MW339.32 g/mol
LogP2.67
Rot. Bonds2

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

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 66814381) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide
PubChem CID66814381
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2cc(C(F)(F)F)oc2cn1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)14-5-10-4-12(20-6-13(10)24-14)15(23)21-11-3-9-1-2-22(7-9)8-11/h4-6,9,11H,1-3,7-8H2,(H,21,23)/t9-,11+/m0/s1
InChIKeyJJXXPSSVMROTBY-GXSJLCMTSA-N
XLogP2.67
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide (CID 66814381) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2cc(C(F)(F)F)oc2cn1.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is JJXXPSSVMROTBY-GXSJLCMTSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)14-5-10-4-12(20-6-13(10)24-14)15(23)21-11-3-9-1-2-22(7-9)8-11/h4-6,9,11H,1-3,7-8H2,(H,21,23)/t9-,11+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66814381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).