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

C17H15F2N3O2 — CID 22389128

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1cc2c(C#CC(F)F)coc2cn1
InChIInChI=1S/C17H15F2N3O2/c18-16(19)2-1-11-9-24-15-6-20-13(5-12(11)15)17(23)21-14-8-22-4-3-10(14)7-22/h5-6,9-10,14,16H,3-4,7-8H2,(H,21,23)
InChIKeyKIBYKWZFTHUNMZ-UHFFFAOYSA-N
MW331.32 g/mol
LogP1.88
Rot. Bonds2

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

N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 22389128) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
PubChem CID22389128
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1cc2c(C#CC(F)F)coc2cn1
InChIInChI=1S/C17H15F2N3O2/c18-16(19)2-1-11-9-24-15-6-20-13(5-12(11)15)17(23)21-14-8-22-4-3-10(14)7-22/h5-6,9-10,14,16H,3-4,7-8H2,(H,21,23)
InChIKeyKIBYKWZFTHUNMZ-UHFFFAOYSA-N
XLogP1.88
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 51.88
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-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide (CID 22389128) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide is O=C(NC1CN2CCC1C2)c1cc2c(C#CC(F)F)coc2cn1.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is KIBYKWZFTHUNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c18-16(19)2-1-11-9-24-15-6-20-13(5-12(11)15)17(23)21-14-8-22-4-3-10(14)7-22/h5-6,9-10,14,16H,3-4,7-8H2,(H,21,23).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3,3-difluoroprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22389128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).