N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide

C17H16F3N3O3 — CID 66814815

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2c(C(=O)C(F)(F)F)coc2cn1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)15(24)12-8-26-14-5-21-13(4-11(12)14)16(25)22-10-3-9-1-2-23(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,22,25)/t9-,10-/m1/s1
InChIKeyDRTFZVRBYSJZJT-NXEZZACHSA-N
MW367.33 g/mol
LogP2.40
Rot. Bonds3

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 66814815) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide
PubChem CID66814815
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2c(C(=O)C(F)(F)F)coc2cn1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)15(24)12-8-26-14-5-21-13(4-11(12)14)16(25)22-10-3-9-1-2-23(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,22,25)/t9-,10-/m1/s1
InChIKeyDRTFZVRBYSJZJT-NXEZZACHSA-N
XLogP2.40
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 66814299
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(morpholine-4-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 66814601
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66814602
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
CID 66814653
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 22389418
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide
CID 87166132
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-thiomorpholin-4-ylfuro[2,3-c]pyridine-5-carboxamide
CID 66814917
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide
CID 66815146
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide
CID 22389154
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66815107
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
CID 66814952

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide (CID 66814815) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2c(C(=O)C(F)(F)F)coc2cn1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is DRTFZVRBYSJZJT-NXEZZACHSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)15(24)12-8-26-14-5-21-13(4-11(12)14)16(25)22-10-3-9-1-2-23(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,22,25)/t9-,10-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66814815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).