5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide

C15H15BrN2O2 — CID 62953584

IUPAC5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccc(Br)cn2)cc1
InChIInChI=1S/C15H15BrN2O2/c1-2-9-20-13-6-4-12(5-7-13)18-15(19)14-8-3-11(16)10-17-14/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyONRGPYXAAGCAHL-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.89
Rot. Bonds5

About 5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide

5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide (PubChem CID 62953584) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
PubChem CID62953584
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccc(Br)cn2)cc1
InChIInChI=1S/C15H15BrN2O2/c1-2-9-20-13-6-4-12(5-7-13)18-15(19)14-8-3-11(16)10-17-14/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyONRGPYXAAGCAHL-UHFFFAOYSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methylamino)-N-(4-propoxyphenyl)pyrazine-2-carboxamide
CID 107375410
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62953190
N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 115497769
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
CID 107952344
3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
CID 66483370
4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
CID 103885194
5-bromo-N-(4-ethoxy-3-methoxyphenyl)pyridine-2-carboxamide
CID 62952861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide (CID 62953584) is 5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide is CCCOc1ccc(NC(=O)c2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide?
The InChIKey is ONRGPYXAAGCAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-2-9-20-13-6-4-12(5-7-13)18-15(19)14-8-3-11(16)10-17-14/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide?
5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62953584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).