N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide

C15H14F3N3O2 — CID 20806959

IUPACN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1cc2c(C(F)(F)F)coc2cn1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)10-7-23-13-4-19-11(3-9(10)13)14(22)20-12-6-21-2-1-8(12)5-21/h3-4,7-8,12H,1-2,5-6H2,(H,20,22)/t8-,12?/m0/s1
InChIKeyFAWBEWRYISNHBA-KBPLZSHQSA-N
MW325.29 g/mol
LogP2.28
Rot. Bonds2

About N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 20806959) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide
PubChem CID20806959
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1cc2c(C(F)(F)F)coc2cn1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)10-7-23-13-4-19-11(3-9(10)13)14(22)20-12-6-21-2-1-8(12)5-21/h3-4,7-8,12H,1-2,5-6H2,(H,20,22)/t8-,12?/m0/s1
InChIKeyFAWBEWRYISNHBA-KBPLZSHQSA-N
XLogP2.28
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide (CID 20806959) is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide is O=C(NC1CN2CC[C@H]1C2)c1cc2c(C(F)(F)F)coc2cn1.
What is the InChIKey of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is FAWBEWRYISNHBA-KBPLZSHQSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)10-7-23-13-4-19-11(3-9(10)13)14(22)20-12-6-21-2-1-8(12)5-21/h3-4,7-8,12H,1-2,5-6H2,(H,20,22)/t8-,12?/m0/s1.
What are the key properties of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide?
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(trifluoromethyl)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 20806959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).