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

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Related Compounds

N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
(1S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 24978533
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate
CID 46226602
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
N-(3-cyclopropyl-3-phenylpropyl)pyridine-3-carboxamide
CID 84510606
N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide
CID 39577664
N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72876390
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981

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).