N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide

C24H30BrF2N5O3 — CID 154683318

IUPACN-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide
SMILESCC(F)(F)c1nc(C23CCCC(C2)C(CN(C(=O)N2CCOCC2)c2cc(Br)ccn2)CC3)no1
InChIInChI=1S/C24H30BrF2N5O3/c1-23(26,27)21-29-20(30-35-21)24-6-2-3-16(14-24)17(4-7-24)15-32(19-13-18(25)5-8-28-19)22(33)31-9-11-34-12-10-31/h5,8,13,16-17H,2-4,6-7,9-12,14-15H2,1H3
InChIKeyDKLLVWNLPJEEQR-UHFFFAOYSA-N
MW554.44 g/mol
LogP5.14
Rot. Bonds5

About N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide

N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide (PubChem CID 154683318) has the molecular formula C24H30BrF2N5O3 and a molecular weight of 554.44 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide
PubChem CID154683318
Molecular FormulaC24H30BrF2N5O3
Molecular Weight554.44 g/mol
Exact Mass553.15
IUPAC NameN-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide
SMILESCC(F)(F)c1nc(C23CCCC(C2)C(CN(C(=O)N2CCOCC2)c2cc(Br)ccn2)CC3)no1
InChIInChI=1S/C24H30BrF2N5O3/c1-23(26,27)21-29-20(30-35-21)24-6-2-3-16(14-24)17(4-7-24)15-32(19-13-18(25)5-8-28-19)22(33)31-9-11-34-12-10-31/h5,8,13,16-17H,2-4,6-7,9-12,14-15H2,1H3
InChIKeyDKLLVWNLPJEEQR-UHFFFAOYSA-N
XLogP5.14
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-(4-bromo-2-pyridinyl)-N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-2-morpholin-4-ylacetamide
CID 171473836
4-chloro-N-[[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]pyrimidin-2-amine
CID 166977496
N-(3-bromophenyl)-N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
CID 154683335
(1,1,1-trifluoro-2-methylpropan-2-yl) N-(4-bromo-2-pyridinyl)-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]carbamate
CID 155064322
N-(3-aminophenyl)-N-[[5-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-bicyclo[3.3.1]nonanyl]methyl]-3-(2,2,2-trifluoro-1-hydroxyethylidene)cyclobutane-1-carboxamide
CID 162617587
N-(3-isocyanophenyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]oxane-4-carboxamide
CID 163892722
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide
CID 155063167
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[4-(2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171473840
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate
CID 156580262
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[4-(5-ethylpyrimidin-2-yl)-2-pyridinyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474092
N-(4-bromo-2-pyridinyl)-N-[[4-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-2-[3-(difluoromethoxy)-3-methylcyclobutyl]acetamide
CID 171474481
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[4-(2-methyl-1,3-benzothiazol-6-yl)-2-pyridinyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 162265993

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide (CID 154683318) is N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide is CC(F)(F)c1nc(C23CCCC(C2)C(CN(C(=O)N2CCOCC2)c2cc(Br)ccn2)CC3)no1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide?
The InChIKey is DKLLVWNLPJEEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrF2N5O3/c1-23(26,27)21-29-20(30-35-21)24-6-2-3-16(14-24)17(4-7-24)15-32(19-13-18(25)5-8-28-19)22(33)31-9-11-34-12-10-31/h5,8,13,16-17H,2-4,6-7,9-12,14-15H2,1H3.
What are the key properties of N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide?
N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide has a molecular weight of 554.44 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-N-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-bicyclo[3.3.1]nonanyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 154683318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).