2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide

C15H15BrN2O2 — CID 103867282

IUPAC2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-10(12-5-3-4-6-13(12)19)18(2)15(20)11-7-8-17-14(16)9-11/h3-10,19H,1-2H3
InChIKeyKNJIOUVXFMOHRY-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.38
Rot. Bonds3

About 2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide

2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide (PubChem CID 103867282) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
PubChem CID103867282
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-10(12-5-3-4-6-13(12)19)18(2)15(20)11-7-8-17-14(16)9-11/h3-10,19H,1-2H3
InChIKeyKNJIOUVXFMOHRY-UHFFFAOYSA-N
XLogP3.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide
CID 103752379
5,6-dichloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 61052151
3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
CID 103867275
3-cyano-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043345
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
CID 62341012
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734
4-(chloromethyl)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 60949375
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide (CID 103867282) is 2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide is CC(c1ccccc1O)N(C)C(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is KNJIOUVXFMOHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10(12-5-3-4-6-13(12)19)18(2)15(20)11-7-8-17-14(16)9-11/h3-10,19H,1-2H3.
What are the key properties of 2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide?
2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 103867282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).