5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide

C15H13BrCl2N2O2 — CID 70465007

IUPAC5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(c1cncc(Br)c1)N(CCO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O2/c16-12-5-11(7-19-8-12)15(22)20(3-4-21)9-10-1-2-13(17)6-14(10)18/h1-2,5-8,21H,3-4,9H2
InChIKeyJFNZSVUEVWMOAB-UHFFFAOYSA-N
MW404.09 g/mol
LogP3.79
Rot. Bonds5

About 5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide

5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 70465007) has the molecular formula C15H13BrCl2N2O2 and a molecular weight of 404.09 g/mol. Its IUPAC name is 5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID70465007
Molecular FormulaC15H13BrCl2N2O2
Molecular Weight404.09 g/mol
Exact Mass401.95
IUPAC Name5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(c1cncc(Br)c1)N(CCO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O2/c16-12-5-11(7-19-8-12)15(22)20(3-4-21)9-10-1-2-13(17)6-14(10)18/h1-2,5-8,21H,3-4,9H2
InChIKeyJFNZSVUEVWMOAB-UHFFFAOYSA-N
XLogP3.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.09
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 115772011
5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 70463058
N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 75496845
5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide
CID 70461907
3-bromo-N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853687
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone
CID 43167259
5-bromo-N,N-dihexylpyridine-3-carboxamide
CID 132587531
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 168853809
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N-ethyl-5-hydroxy-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63850012

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 70465007) is 5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide is O=C(c1cncc(Br)c1)N(CCO)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is JFNZSVUEVWMOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O2/c16-12-5-11(7-19-8-12)15(22)20(3-4-21)9-10-1-2-13(17)6-14(10)18/h1-2,5-8,21H,3-4,9H2.
What are the key properties of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide?
5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 404.09 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 70465007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).