3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide

C14H7BrN4O — CID 107791028

IUPAC3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ncccc2Br)cc1C#N
InChIInChI=1S/C14H7BrN4O/c15-12-2-1-5-18-13(12)14(20)19-11-4-3-9(7-16)10(6-11)8-17/h1-6H,(H,19,20)
InChIKeySLTQYAOTAARFBK-UHFFFAOYSA-N
MW327.14 g/mol
LogP2.84
Rot. Bonds2

About 3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide

3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide (PubChem CID 107791028) has the molecular formula C14H7BrN4O and a molecular weight of 327.14 g/mol. Its IUPAC name is 3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
PubChem CID107791028
Molecular FormulaC14H7BrN4O
Molecular Weight327.14 g/mol
Exact Mass325.98
IUPAC Name3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ncccc2Br)cc1C#N
InChIInChI=1S/C14H7BrN4O/c15-12-2-1-5-18-13(12)14(20)19-11-4-3-9(7-16)10(6-11)8-17/h1-6H,(H,19,20)
InChIKeySLTQYAOTAARFBK-UHFFFAOYSA-N
XLogP2.84
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861491
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide
CID 122187792
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide
CID 103990852
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
3-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 107517736
3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 107519556
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide (CID 107791028) is 3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2ncccc2Br)cc1C#N.
What is the InChIKey of 3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide?
The InChIKey is SLTQYAOTAARFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrN4O/c15-12-2-1-5-18-13(12)14(20)19-11-4-3-9(7-16)10(6-11)8-17/h1-6H,(H,19,20).
What are the key properties of 3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide?
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide has a molecular weight of 327.14 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107791028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).