6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide

C19H14BrFN2O2 — CID 46459917

IUPAC6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C19H14BrFN2O2/c1-12-5-7-15(21)10-17(12)23-19(24)13-6-8-18(22-11-13)25-16-4-2-3-14(20)9-16/h2-11H,1H3,(H,23,24)
InChIKeyGMLXVUZFIGXSOP-UHFFFAOYSA-N
MW401.24 g/mol
LogP5.34
Rot. Bonds4

About 6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide

6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 46459917) has the molecular formula C19H14BrFN2O2 and a molecular weight of 401.24 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
PubChem CID46459917
Molecular FormulaC19H14BrFN2O2
Molecular Weight401.24 g/mol
Exact Mass400.02
IUPAC Name6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C19H14BrFN2O2/c1-12-5-7-15(21)10-17(12)23-19(24)13-6-8-18(22-11-13)25-16-4-2-3-14(20)9-16/h2-11H,1H3,(H,23,24)
InChIKeyGMLXVUZFIGXSOP-UHFFFAOYSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.24
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromophenoxy)-N-(2-hydroxy-5-methylphenyl)pyridine-3-carboxamide
CID 60562203
6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313
6-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 46458349
6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46486838
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55786958
6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 46458129
6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
CID 55706653
6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60526548
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide
CID 55706261
6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55706775

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide (CID 46459917) is 6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide is Cc1ccc(F)cc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is GMLXVUZFIGXSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN2O2/c1-12-5-7-15(21)10-17(12)23-19(24)13-6-8-18(22-11-13)25-16-4-2-3-14(20)9-16/h2-11H,1H3,(H,23,24).
What are the key properties of 6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide?
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 401.24 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46459917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).