N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide

C21H20FN3O2 — CID 162502082

IUPACN-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCC1[C@H]2CN(c3ccc(F)cc3)C[C@@H]12)c1cc2ccncc2o1
InChIInChI=1S/C21H20FN3O2/c22-14-1-3-15(4-2-14)25-11-17-16(18(17)12-25)6-8-24-21(26)19-9-13-5-7-23-10-20(13)27-19/h1-5,7,9-10,16-18H,6,8,11-12H2,(H,24,26)/t16?,17-,18+
InChIKeyQVGSSMMPUGIADN-AYHJJNSGSA-N
MW365.41 g/mol
LogP3.47
Rot. Bonds5

About N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide

N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 162502082) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID162502082
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCC1[C@H]2CN(c3ccc(F)cc3)C[C@@H]12)c1cc2ccncc2o1
InChIInChI=1S/C21H20FN3O2/c22-14-1-3-15(4-2-14)25-11-17-16(18(17)12-25)6-8-24-21(26)19-9-13-5-7-23-10-20(13)27-19/h1-5,7,9-10,16-18H,6,8,11-12H2,(H,24,26)/t16?,17-,18+
InChIKeyQVGSSMMPUGIADN-AYHJJNSGSA-N
XLogP3.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide (CID 162502082) is N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCCC1[C@H]2CN(c3ccc(F)cc3)C[C@@H]12)c1cc2ccncc2o1.
What is the InChIKey of N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is QVGSSMMPUGIADN-AYHJJNSGSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-14-1-3-15(4-2-14)25-11-17-16(18(17)12-25)6-8-24-21(26)19-9-13-5-7-23-10-20(13)27-19/h1-5,7,9-10,16-18H,6,8,11-12H2,(H,24,26)/t16?,17-,18+.
What are the key properties of N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,5S)-3-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 162502082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).