N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide

C15H15BrN2O2 — CID 115116362

IUPACN-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(CCO)c1)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-18(14-5-3-2-4-13(14)16)15(20)11-6-8-17-12(10-11)7-9-19/h2-6,8,10,19H,7,9H2,1H3
InChIKeyYWNJUIWFGLUKCJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.66
Rot. Bonds4

About N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide

N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide (PubChem CID 115116362) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
PubChem CID115116362
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(CCO)c1)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-18(14-5-3-2-4-13(14)16)15(20)11-6-8-17-12(10-11)7-9-19/h2-6,8,10,19H,7,9H2,1H3
InChIKeyYWNJUIWFGLUKCJ-UHFFFAOYSA-N
XLogP2.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 115116349
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114325937
4-[[2-(aminomethyl)pyridine-4-carbonyl]-methylamino]benzoic acid
CID 104698663
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
N-(2-bromophenyl)-2-cyano-N-methylacetamide
CID 83548486
4-N-methyl-4-N-phenyl-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087239
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115115934
N-(2-bromophenyl)-N-methylhydroxylamine
CID 58554811
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide (CID 115116362) is N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccnc(CCO)c1)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is YWNJUIWFGLUKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-18(14-5-3-2-4-13(14)16)15(20)11-6-8-17-12(10-11)7-9-19/h2-6,8,10,19H,7,9H2,1H3.
What are the key properties of N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 115116362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).