5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide

C21H19BrN2O2 — CID 99873716

IUPAC5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cncc(Br)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O2/c1-21(26,14-24-20(25)17-11-19(22)13-23-12-17)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-13,26H,14H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyJQZSGOSLEOHZBI-OAQYLSRUSA-N
MW411.30 g/mol
LogP4.15
Rot. Bonds5

About 5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide

5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide (PubChem CID 99873716) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
PubChem CID99873716
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC Name5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cncc(Br)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O2/c1-21(26,14-24-20(25)17-11-19(22)13-23-12-17)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-13,26H,14H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyJQZSGOSLEOHZBI-OAQYLSRUSA-N
XLogP4.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
CID 99873826
5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 65111151
N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110291647
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
CID 95982815
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781801
N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
CID 119641823
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide (CID 99873716) is 5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide is C[C@@](O)(CNC(=O)c1cncc(Br)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is JQZSGOSLEOHZBI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c1-21(26,14-24-20(25)17-11-19(22)13-23-12-17)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-13,26H,14H2,1H3,(H,24,25)/t21-/m1/s1.
What are the key properties of 5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide?
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 411.30 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 99873716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).