5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide

C15H15BrN2O — CID 62954039

IUPAC5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Br)cn2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10-3-5-12(6-4-10)11(2)18-15(19)14-8-7-13(16)9-17-14/h3-9,11H,1-2H3,(H,18,19)
InChIKeyXHVXMFVJOUXQSD-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.64
Rot. Bonds3

About 5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide

5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 62954039) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID62954039
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Br)cn2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10-3-5-12(6-4-10)11(2)18-15(19)14-8-7-13(16)9-17-14/h3-9,11H,1-2H3,(H,18,19)
InChIKeyXHVXMFVJOUXQSD-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 62954221
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62248977
N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61066772
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
CID 62959350
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide (CID 62954039) is 5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide is Cc1ccc(C(C)NC(=O)c2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is XHVXMFVJOUXQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-3-5-12(6-4-10)11(2)18-15(19)14-8-7-13(16)9-17-14/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.64, 3 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-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 62954039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).