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

C16H14F3N3O3 — CID 22389236

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1cc2oc(C(=O)C(F)(F)F)cc2cn1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)14(23)13-3-9-5-20-10(4-12(9)25-13)15(24)21-11-7-22-2-1-8(11)6-22/h3-5,8,11H,1-2,6-7H2,(H,21,24)
InChIKeyWTBDIXVZMZNMOL-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.01
Rot. Bonds3

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

N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide (PubChem CID 22389236) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide
PubChem CID22389236
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1cc2oc(C(=O)C(F)(F)F)cc2cn1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)14(23)13-3-9-5-20-10(4-12(9)25-13)15(24)21-11-7-22-2-1-8(11)6-22/h3-5,8,11H,1-2,6-7H2,(H,21,24)
InChIKeyWTBDIXVZMZNMOL-UHFFFAOYSA-N
XLogP2.01
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide
CID 20806885
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
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide
CID 22047270
N-(1-azabicyclo[2.2.1]heptan-3-yl)-6-cyanoisoquinoline-3-carboxamide
CID 22243610
N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide
CID 22389313
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylfuro[2,3-c]pyridine-5-carboxamide
CID 22389168
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 66814884
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-(1-azabicyclo[2.2.2]octan-3-yl)furo[2,3-c]pyridine-2-carboxamide
CID 22047383
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethynylisoquinoline-3-carboxamide
CID 22243597

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide (CID 22389236) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide is O=C(NC1CN2CCC1C2)c1cc2oc(C(=O)C(F)(F)F)cc2cn1.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide?
The InChIKey is WTBDIXVZMZNMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c17-16(18,19)14(23)13-3-9-5-20-10(4-12(9)25-13)15(24)21-11-7-22-2-1-8(11)6-22/h3-5,8,11H,1-2,6-7H2,(H,21,24).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 22389236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).