N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide

C15H12BrN3O — CID 81003561

IUPACN-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C15H12BrN3O/c1-2-11-7-12(16)4-6-13(11)19-15(20)14-5-3-10(8-17)9-18-14/h3-7,9H,2H2,1H3,(H,19,20)
InChIKeyJOITXIBRBHSJDV-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.53
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide

N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide (PubChem CID 81003561) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
PubChem CID81003561
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C15H12BrN3O/c1-2-11-7-12(16)4-6-13(11)19-15(20)14-5-3-10(8-17)9-18-14/h3-7,9H,2H2,1H3,(H,19,20)
InChIKeyJOITXIBRBHSJDV-UHFFFAOYSA-N
XLogP3.53
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-ethylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642974
4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid
CID 63723009
1-(4-bromo-2-ethylphenyl)-3-(4-cyanophenyl)urea
CID 81288018
5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 63723902
N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 81003417
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479
5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 55229412
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
N-(4-bromo-2-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 81287386

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide (CID 81003561) is N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide is CCc1cc(Br)ccc1NC(=O)c1ccc(C#N)cn1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide?
The InChIKey is JOITXIBRBHSJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-2-11-7-12(16)4-6-13(11)19-15(20)14-5-3-10(8-17)9-18-14/h3-7,9H,2H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide?
N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide has a molecular weight of 330.19 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 81003561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).