5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide

C17H16BrCl3N2O2 — CID 70461907

IUPAC5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide
SMILESCCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cncc(Br)c1
InChIInChI=1S/C17H16BrCl3N2O2/c1-2-3-23(17(24)11-6-12(18)10-22-9-11)4-5-25-16-14(20)7-13(19)8-15(16)21/h6-10H,2-5H2,1H3
InChIKeyDBPQMUGHKXVWRD-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.74
Rot. Bonds7

About 5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide

5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 70461907) has the molecular formula C17H16BrCl3N2O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide
PubChem CID70461907
Molecular FormulaC17H16BrCl3N2O2
Molecular Weight466.59 g/mol
Exact Mass463.95
IUPAC Name5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide
SMILESCCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cncc(Br)c1
InChIInChI=1S/C17H16BrCl3N2O2/c1-2-3-23(17(24)11-6-12(18)10-22-9-11)4-5-25-16-14(20)7-13(19)8-15(16)21/h6-10H,2-5H2,1H3
InChIKeyDBPQMUGHKXVWRD-UHFFFAOYSA-N
XLogP5.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 70461703
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide
CID 13488358
5-chloro-N-[2-(2,6-dichlorophenoxy)ethyl]-N-ethylpyridine-3-carboxamide
CID 70462625
5-bromo-N,N-dihexylpyridine-3-carboxamide
CID 132587531
5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 70463058
5-(3,5-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241004
2-amino-2-methylpropanoic acid;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 68991935
5-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 70465007
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70468782
5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240944
5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 115772011
[3,5-dichloro-2-[2-[imidazole-1-carbonyl(propyl)amino]ethoxy]phenyl]chloranium
CID 163802816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide (CID 70461907) is 5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide is CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is DBPQMUGHKXVWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrCl3N2O2/c1-2-3-23(17(24)11-6-12(18)10-22-9-11)4-5-25-16-14(20)7-13(19)8-15(16)21/h6-10H,2-5H2,1H3.
What are the key properties of 5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide?
5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 70461907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).