5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide

C16H17BrN2O2 — CID 51292691

IUPAC5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-21-15-6-4-12(5-7-15)11(2)19-16(20)13-8-14(17)10-18-9-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyCICBQNRTQLPXCS-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.73
Rot. Bonds5

About 5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide

5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 51292691) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID51292691
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-21-15-6-4-12(5-7-15)11(2)19-16(20)13-8-14(17)10-18-9-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyCICBQNRTQLPXCS-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990
5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 8962937
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 42928541
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
CID 9220092
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide (CID 51292691) is 5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide is CCOc1ccc(C(C)NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is CICBQNRTQLPXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-21-15-6-4-12(5-7-15)11(2)19-16(20)13-8-14(17)10-18-9-13/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide?
5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 51292691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).