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

C22H20FN3O3 — CID 162501796

IUPACN-[2-[(1R,5S)-3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCC1[C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]12)c1cc2ccncc2o1
InChIInChI=1S/C22H20FN3O3/c23-15-3-1-13(2-4-15)22(28)26-11-17-16(18(17)12-26)6-8-25-21(27)19-9-14-5-7-24-10-20(14)29-19/h1-5,7,9-10,16-18H,6,8,11-12H2,(H,25,27)/t16?,17-,18+
InChIKeyOHVNNFKPUAGQFI-AYHJJNSGSA-N
MW393.42 g/mol
LogP3.11
Rot. Bonds5

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

N-[2-[(1R,5S)-3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 162501796) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[2-[(1R,5S)-3-(4-fluorobenzoyl)-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-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID162501796
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[2-[(1R,5S)-3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCC1[C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]12)c1cc2ccncc2o1
InChIInChI=1S/C22H20FN3O3/c23-15-3-1-13(2-4-15)22(28)26-11-17-16(18(17)12-26)6-8-25-21(27)19-9-14-5-7-24-10-20(14)29-19/h1-5,7,9-10,16-18H,6,8,11-12H2,(H,25,27)/t16?,17-,18+
InChIKeyOHVNNFKPUAGQFI-AYHJJNSGSA-N
XLogP3.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,5S)-3-(4-fluorobenzoyl)-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-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide (CID 162501796) is N-[2-[(1R,5S)-3-(4-fluorobenzoyl)-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-fluorobenzoyl)-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-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCCC1[C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]12)c1cc2ccncc2o1.
What is the InChIKey of N-[2-[(1R,5S)-3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is OHVNNFKPUAGQFI-AYHJJNSGSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-15-3-1-13(2-4-15)22(28)26-11-17-16(18(17)12-26)6-8-25-21(27)19-9-14-5-7-24-10-20(14)29-19/h1-5,7,9-10,16-18H,6,8,11-12H2,(H,25,27)/t16?,17-,18+.
What are the key properties of N-[2-[(1R,5S)-3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
N-[2-[(1R,5S)-3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.11, 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-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 162501796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).