N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide

C14H12BrN5O — CID 107793985

IUPACN-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C#N)cc2Br)cc(NN)n1
InChIInChI=1S/C14H12BrN5O/c1-8-4-10(6-13(18-8)20-17)14(21)19-12-3-2-9(7-16)5-11(12)15/h2-6H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyYHHKVODPEUBYNK-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.56
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide

N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide (PubChem CID 107793985) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
PubChem CID107793985
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC NameN-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C#N)cc2Br)cc(NN)n1
InChIInChI=1S/C14H12BrN5O/c1-8-4-10(6-13(18-8)20-17)14(21)19-12-3-2-9(7-16)5-11(12)15/h2-6H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyYHHKVODPEUBYNK-UHFFFAOYSA-N
XLogP2.56
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 107793713
N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107793977
N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
CID 61259361
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225
2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
CID 107793724
2-hydrazinyl-6-methyl-N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 107643225
3-bromo-4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]benzonitrile
CID 107795536
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
N-(4,6-dimethyl-2-pyridinyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114933274
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 107531327
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide (CID 107793985) is N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C#N)cc2Br)cc(NN)n1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide?
The InChIKey is YHHKVODPEUBYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c1-8-4-10(6-13(18-8)20-17)14(21)19-12-3-2-9(7-16)5-11(12)15/h2-6H,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide?
N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide has a molecular weight of 346.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 107793985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).