N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide

C28H29F2N3O2 — CID 11236913

IUPACN-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN1[C@@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1
InChIInChI=1S/C28H29F2N3O2/c29-22-7-3-19(4-8-22)27(20-5-9-23(30)10-6-20)35-26-16-24-11-12-25(17-26)33(24)15-14-32-28(34)21-2-1-13-31-18-21/h1-10,13,18,24-27H,11-12,14-17H2,(H,32,34)/t24-,25+,26?
InChIKeyAHIVDMYTJFPCST-IQCGEYIDSA-N
MW477.56 g/mol
LogP4.89
Rot. Bonds8

About N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide

N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide (PubChem CID 11236913) has the molecular formula C28H29F2N3O2 and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide
PubChem CID11236913
Molecular FormulaC28H29F2N3O2
Molecular Weight477.56 g/mol
Exact Mass477.22
IUPAC NameN-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN1[C@@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1
InChIInChI=1S/C28H29F2N3O2/c29-22-7-3-19(4-8-22)27(20-5-9-23(30)10-6-20)35-26-16-24-11-12-25(17-26)33(24)15-14-32-28(34)21-2-1-13-31-18-21/h1-10,13,18,24-27H,11-12,14-17H2,(H,32,34)/t24-,25+,26?
InChIKeyAHIVDMYTJFPCST-IQCGEYIDSA-N
XLogP4.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-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-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide (CID 11236913) is N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide is O=C(NCCN1[C@@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1.
What is the InChIKey of N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is AHIVDMYTJFPCST-IQCGEYIDSA-N. The full InChI is InChI=1S/C28H29F2N3O2/c29-22-7-3-19(4-8-22)27(20-5-9-23(30)10-6-20)35-26-16-24-11-12-25(17-26)33(24)15-14-32-28(34)21-2-1-13-31-18-21/h1-10,13,18,24-27H,11-12,14-17H2,(H,32,34)/t24-,25+,26?.
What are the key properties of N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide?
N-[2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 4.89, 8 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-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 11236913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).