6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

C18H15BrN2O2S — CID 46487926

IUPAC6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C18H15BrN2O2S/c19-14-3-1-4-15(11-14)23-17-7-6-13(12-21-17)18(22)20-9-8-16-5-2-10-24-16/h1-7,10-12H,8-9H2,(H,20,22)
InChIKeyAIGHYKCSRZULLC-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.67
Rot. Bonds6

About 6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 46487926) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID46487926
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC Name6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C18H15BrN2O2S/c19-14-3-1-4-15(11-14)23-17-7-6-13(12-21-17)18(22)20-9-8-16-5-2-10-24-16/h1-7,10-12H,8-9H2,(H,20,22)
InChIKeyAIGHYKCSRZULLC-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide
CID 55806412
6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60526548
6-(4-bromophenoxy)-N-[3-(thiophene-2-carbonylamino)propyl]pyridine-3-carboxamide
CID 60610306
6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55706775
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 60610907
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
6-(3-bromophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513174
6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
CID 55706653
6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide
CID 55706261
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 46459917

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 46487926) is 6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is O=C(NCCc1cccs1)c1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is AIGHYKCSRZULLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c19-14-3-1-4-15(11-14)23-17-7-6-13(12-21-17)18(22)20-9-8-16-5-2-10-24-16/h1-7,10-12H,8-9H2,(H,20,22).
What are the key properties of 6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 403.30 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46487926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).