6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide

C15H14BrFN2O2 — CID 66463904

IUPAC6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H14BrFN2O2/c1-9(12-7-11(17)4-5-13(12)21-2)19-15(20)10-3-6-14(16)18-8-10/h3-9H,1-2H3,(H,19,20)
InChIKeyVKUGGUSZYKINOH-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.48
Rot. Bonds4

About 6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide

6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 66463904) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID66463904
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H14BrFN2O2/c1-9(12-7-11(17)4-5-13(12)21-2)19-15(20)10-3-6-14(16)18-8-10/h3-9H,1-2H3,(H,19,20)
InChIKeyVKUGGUSZYKINOH-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107251532
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide
CID 60794861
5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 60794862
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75449989
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497321

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 66463904) is 6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(F)cc1C(C)NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is VKUGGUSZYKINOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-9(12-7-11(17)4-5-13(12)21-2)19-15(20)10-3-6-14(16)18-8-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of 6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 353.19 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 66463904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).