5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide

C20H17BrN2O — CID 51126618

IUPAC5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(c1cncc(Br)c1)N(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BrN2O/c21-18-13-17(14-22-15-18)20(24)23(19-9-5-2-6-10-19)12-11-16-7-3-1-4-8-16/h1-10,13-15H,11-12H2
InChIKeyGQFWFLKNEXSAJD-UHFFFAOYSA-N
MW381.27 g/mol
LogP4.73
Rot. Bonds5

About 5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide

5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 51126618) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is 5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID51126618
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC Name5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(c1cncc(Br)c1)N(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BrN2O/c21-18-13-17(14-22-15-18)20(24)23(19-9-5-2-6-10-19)12-11-16-7-3-1-4-8-16/h1-10,13-15H,11-12H2
InChIKeyGQFWFLKNEXSAJD-UHFFFAOYSA-N
XLogP4.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 67868521
2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate
CID 67868740
(4-fluorophenyl)methyl N-[2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl]carbamate
CID 67843879
2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 67868188
1-[2-(N-(5-bromopyridine-3-carbonyl)anilino)ethoxycarbonylamino]propan-2-yl acetate
CID 70359229
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 63230213
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
2-phenoxyethyl N-[2-[(5-bromopyridine-3-carbonyl)amino]ethyl]-N-phenylcarbamate
CID 67868615
5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
CID 99873826

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide (CID 51126618) is 5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(c1cncc(Br)c1)N(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is GQFWFLKNEXSAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O/c21-18-13-17(14-22-15-18)20(24)23(19-9-5-2-6-10-19)12-11-16-7-3-1-4-8-16/h1-10,13-15H,11-12H2.
What are the key properties of 5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide?
5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 381.27 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 51126618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).