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

C16H17BrN2O — CID 603621

IUPAC5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-3-12-4-6-13(7-5-12)11(2)19-16(20)14-8-15(17)10-18-9-14/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyBRGWCACAEZDBBQ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.90
Rot. Bonds4

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

5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 603621) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID603621
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-3-12-4-6-13(7-5-12)11(2)19-16(20)14-8-15(17)10-18-9-14/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyBRGWCACAEZDBBQ-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-
CID 64616
(5-Bromopyridin-3-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46931242
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
Phenatine
CID 120640
N-[(E)-1-(4-bromophenyl)ethylideneamino]pyridine-3-carboxamide
CID 5751334
Nicotinic acid benzylamide
CID 98499
N-Phenethyl-nicotinamide
CID 668779
N-{3-[(1S)-1-[(5-bromopyridin-3-yl)amino]ethyl]phenyl}-5-methylpyridine-3-carboxamide
CID 25218463
N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 771963
N-(cyclohexylmethyl)nicotinamide
CID 2990659
N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 747646

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide (CID 603621) is 5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide is CCc1ccc(C(C)NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is BRGWCACAEZDBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-3-12-4-6-13(7-5-12)11(2)19-16(20)14-8-15(17)10-18-9-14/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide?
5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 603621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).