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

C16H17BrN2O — CID 62954221

IUPAC5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Br)cn2)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-10-4-6-14(11(2)8-10)12(3)19-16(20)15-7-5-13(17)9-18-15/h4-9,12H,1-3H3,(H,19,20)
InChIKeyDRPZDEJJKLXVOL-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.95
Rot. Bonds3

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

5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 62954221) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID62954221
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Br)cn2)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-10-4-6-14(11(2)8-10)12(3)19-16(20)15-7-5-13(17)9-18-15/h4-9,12H,1-3H3,(H,19,20)
InChIKeyDRPZDEJJKLXVOL-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244718
5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62954039
2,4-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 107951625
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
CID 62959350
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843709
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115606081

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide (CID 62954221) is 5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide is Cc1ccc(C(C)NC(=O)c2ccc(Br)cn2)c(C)c1.
What is the InChIKey of 5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is DRPZDEJJKLXVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-4-6-14(11(2)8-10)12(3)19-16(20)15-7-5-13(17)9-18-15/h4-9,12H,1-3H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide?
5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 3.95, 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-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 62954221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).