N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide

C13H13BrN4O2 — CID 82858745

IUPACN-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2cccnc2NN)c1
InChIInChI=1S/C13H13BrN4O2/c1-20-10-6-8(14)5-9(7-10)17-13(19)11-3-2-4-16-12(11)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyFJSRUURRRLVQDY-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.39
Rot. Bonds4

About N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide

N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide (PubChem CID 82858745) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
PubChem CID82858745
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC NameN-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2cccnc2NN)c1
InChIInChI=1S/C13H13BrN4O2/c1-20-10-6-8(14)5-9(7-10)17-13(19)11-3-2-4-16-12(11)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyFJSRUURRRLVQDY-UHFFFAOYSA-N
XLogP2.39
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.39
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-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 82861112
N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544
N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236877
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
CID 103878372
2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
CID 82859642
5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82860306
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide (CID 82858745) is N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide is COc1cc(Br)cc(NC(=O)c2cccnc2NN)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is FJSRUURRRLVQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-20-10-6-8(14)5-9(7-10)17-13(19)11-3-2-4-16-12(11)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide?
N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 82858745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).