6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide

C15H15BrN2O3 — CID 78887929

IUPAC6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
SMILESCC(CO)NC(=O)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C15H15BrN2O3/c1-10(9-19)18-15(20)11-5-6-14(17-8-11)21-13-4-2-3-12(16)7-13/h2-8,10,19H,9H2,1H3,(H,18,20)
InChIKeyRDXQDJPIOFICRL-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.75
Rot. Bonds5

About 6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide

6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide (PubChem CID 78887929) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
PubChem CID78887929
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
SMILESCC(CO)NC(=O)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C15H15BrN2O3/c1-10(9-19)18-15(20)11-5-6-14(17-8-11)21-13-4-2-3-12(16)7-13/h2-8,10,19H,9H2,1H3,(H,18,20)
InChIKeyRDXQDJPIOFICRL-UHFFFAOYSA-N
XLogP2.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313
6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55706775
6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
CID 55706653
6-(3-bromophenoxy)-N-(2-hydroxy-5-methylphenyl)pyridine-3-carboxamide
CID 60562203
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 46459917
6-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 46458349
6-(3-bromophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513174
6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 46487926
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119574786
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide (CID 78887929) is 6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide is CC(CO)NC(=O)c1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
The InChIKey is RDXQDJPIOFICRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10(9-19)18-15(20)11-5-6-14(17-8-11)21-13-4-2-3-12(16)7-13/h2-8,10,19H,9H2,1H3,(H,18,20).
What are the key properties of 6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 78887929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).