N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

C26H23BrF2N4O2 — CID 158763103

IUPACN-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1
InChIInChI=1S/C26H23BrF2N4O2/c27-19-8-9-24(31-15-19)32-26(35)20-14-22(29)21(28)12-18(20)13-23(34)16-4-6-17(7-5-16)25(30)33-10-2-1-3-11-33/h4-9,12,14-15,30H,1-3,10-11,13H2,(H,31,32,35)/b30-25-
InChIKeyUVUZSHMDLAEGMD-JVCXMKTPSA-N
MW541.40 g/mol
LogP5.61
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 158763103) has the molecular formula C26H23BrF2N4O2 and a molecular weight of 541.40 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
PubChem CID158763103
Molecular FormulaC26H23BrF2N4O2
Molecular Weight541.40 g/mol
Exact Mass540.10
IUPAC NameN-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1
InChIInChI=1S/C26H23BrF2N4O2/c27-19-8-9-24(31-15-19)32-26(35)20-14-22(29)21(28)12-18(20)13-23(34)16-4-6-17(7-5-16)25(30)33-10-2-1-3-11-33/h4-9,12,14-15,30H,1-3,10-11,13H2,(H,31,32,35)/b30-25-
InChIKeyUVUZSHMDLAEGMD-JVCXMKTPSA-N
XLogP5.61
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.40
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

PETT deriv. 15
CID 492704
N-(5-Bromo-2-pyridinyl)-1-naphthamide
CID 593268
N-[(2R)-4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 44393197
N-[(2R)-4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 44393410
N-(5-bromopyridin-2-yl)naphthalene-2-carboxamide
CID 792421
4-benzoyl-N-(3-methylpyridin-2-yl)benzamide
CID 9119219
4-benzoyl-N-pyridin-2-ylbenzamide
CID 17397380
4-benzoyl-N-(5-methylpyridin-2-yl)benzamide
CID 24980870
4-benzoyl-N-(4-methylpyridin-2-yl)benzamide
CID 24980950
N-phenethyl-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)nicotinamide
CID 24989744
5-[2-[3-(diaminomethylidenecarbamoyl)-5-(trifluoromethyl)phenyl]ethynyl]-N-pyridin-2-yl-2-(trifluoromethyl)benzamide
CID 137380252
N-(5-bromo-2-pyridinyl)-2-methylbenzamide
CID 799673

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 158763103) is N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is [H]/N=C(/c1ccc(C(=O)Cc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The InChIKey is UVUZSHMDLAEGMD-JVCXMKTPSA-N. The full InChI is InChI=1S/C26H23BrF2N4O2/c27-19-8-9-24(31-15-19)32-26(35)20-14-22(29)21(28)12-18(20)13-23(34)16-4-6-17(7-5-16)25(30)33-10-2-1-3-11-33/h4-9,12,14-15,30H,1-3,10-11,13H2,(H,31,32,35)/b30-25-.
What are the key properties of N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 541.40 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 158763103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).