N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide

C21H19BrN2O3 — CID 78873503

IUPACN-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1Oc1ccc(Br)cc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C21H19BrN2O3/c22-17-8-10-18(11-9-17)27-20-19(7-4-12-23-20)21(26)24(13-14-25)15-16-5-2-1-3-6-16/h1-12,25H,13-15H2
InChIKeyUEJXRLWCAPKVGZ-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.27
Rot. Bonds7

About N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide

N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 78873503) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID78873503
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC NameN-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1Oc1ccc(Br)cc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C21H19BrN2O3/c22-17-8-10-18(11-9-17)27-20-19(7-4-12-23-20)21(26)24(13-14-25)15-16-5-2-1-3-6-16/h1-12,25H,13-15H2
InChIKeyUEJXRLWCAPKVGZ-UHFFFAOYSA-N
XLogP4.27
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 55687965
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
CID 63390573
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62957970
N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide
CID 134003290
N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide
CID 119653810
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035
N-benzyl-N-(2-bromoethyl)-2-methylpyridine-3-carboxamide
CID 80661556
2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide
CID 55970285
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 78873503) is N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide is O=C(c1cccnc1Oc1ccc(Br)cc1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is UEJXRLWCAPKVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c22-17-8-10-18(11-9-17)27-20-19(7-4-12-23-20)21(26)24(13-14-25)15-16-5-2-1-3-6-16/h1-12,25H,13-15H2.
What are the key properties of N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 78873503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).