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

C17H14F3N3O2 — CID 20806921

IUPACN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1cc2c(C#CC(F)(F)F)coc2cn1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)3-1-11-9-25-15-6-21-13(5-12(11)15)16(24)22-14-8-23-4-2-10(14)7-23/h5-6,9-10,14H,2,4,7-8H2,(H,22,24)/t10-,14?/m0/s1
InChIKeyDNZODRCSPBPRIU-XLLULAGJSA-N
MW349.31 g/mol
LogP2.18
Rot. Bonds2

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

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 20806921) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
PubChem CID20806921
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1cc2c(C#CC(F)(F)F)coc2cn1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)3-1-11-9-25-15-6-21-13(5-12(11)15)16(24)22-14-8-23-4-2-10(14)7-23/h5-6,9-10,14H,2,4,7-8H2,(H,22,24)/t10-,14?/m0/s1
InChIKeyDNZODRCSPBPRIU-XLLULAGJSA-N
XLogP2.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide (CID 20806921) is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide is O=C(NC1CN2CC[C@H]1C2)c1cc2c(C#CC(F)(F)F)coc2cn1.
What is the InChIKey of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is DNZODRCSPBPRIU-XLLULAGJSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)3-1-11-9-25-15-6-21-13(5-12(11)15)16(24)22-14-8-23-4-2-10(14)7-23/h5-6,9-10,14H,2,4,7-8H2,(H,22,24)/t10-,14?/m0/s1.
What are the key properties of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 2.18, 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-(3,3,3-trifluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 20806921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).