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

C16H15F3N4O3 — CID 20806955

IUPACN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1cc2c(NC(=O)C(F)(F)F)coc2cn1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)15(25)22-12-7-26-13-4-20-10(3-9(12)13)14(24)21-11-6-23-2-1-8(11)5-23/h3-4,7-8,11H,1-2,5-6H2,(H,21,24)(H,22,25)/t8-,11?/m0/s1
InChIKeyBXZONOYEWXZCBV-YMNIQAILSA-N
MW368.32 g/mol
LogP1.76
Rot. Bonds3

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

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide (PubChem CID 20806955) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide
PubChem CID20806955
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1cc2c(NC(=O)C(F)(F)F)coc2cn1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)15(25)22-12-7-26-13-4-20-10(3-9(12)13)14(24)21-11-6-23-2-1-8(11)5-23/h3-4,7-8,11H,1-2,5-6H2,(H,21,24)(H,22,25)/t8-,11?/m0/s1
InChIKeyBXZONOYEWXZCBV-YMNIQAILSA-N
XLogP1.76
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide (CID 20806955) is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide is O=C(NC1CN2CC[C@H]1C2)c1cc2c(NC(=O)C(F)(F)F)coc2cn1.
What is the InChIKey of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is BXZONOYEWXZCBV-YMNIQAILSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c17-16(18,19)15(25)22-12-7-26-13-4-20-10(3-9(12)13)14(24)21-11-6-23-2-1-8(11)5-23/h3-4,7-8,11H,1-2,5-6H2,(H,21,24)(H,22,25)/t8-,11?/m0/s1.
What are the key properties of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide?
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 368.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 20806955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).