2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide

C15H13BrN4O — CID 107793724

IUPAC2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C#N)cc2Br)cc(N)n1
InChIInChI=1S/C15H13BrN4O/c1-2-11-6-10(7-14(18)19-11)15(21)20-13-4-3-9(8-17)5-12(13)16/h3-7H,2H2,1H3,(H2,18,19)(H,20,21)
InChIKeyZXWQUYVDBKDEBS-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.11
Rot. Bonds3

About 2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide

2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide (PubChem CID 107793724) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
PubChem CID107793724
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C#N)cc2Br)cc(N)n1
InChIInChI=1S/C15H13BrN4O/c1-2-11-6-10(7-14(18)19-11)15(21)20-13-4-3-9(8-17)5-12(13)16/h3-7H,2H2,1H3,(H2,18,19)(H,20,21)
InChIKeyZXWQUYVDBKDEBS-UHFFFAOYSA-N
XLogP3.11
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-bromo-5-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107631716
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225
N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 107793985
N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 107793713
N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
CID 61259361
4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107796820
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide
CID 107796825
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
CID 107971053
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107793977
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide (CID 107793724) is 2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide is CCc1cc(C(=O)Nc2ccc(C#N)cc2Br)cc(N)n1.
What is the InChIKey of 2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide?
The InChIKey is ZXWQUYVDBKDEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-2-11-6-10(7-14(18)19-11)15(21)20-13-4-3-9(8-17)5-12(13)16/h3-7H,2H2,1H3,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide?
2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide is sourced from PubChem (CID 107793724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).