N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide

C13H13BrN4O2 — CID 82860502

IUPACN-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(NN)c2)ccc1Br
InChIInChI=1S/C13H13BrN4O2/c1-20-11-7-9(2-3-10(11)14)17-13(19)8-4-5-16-12(6-8)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyKCVXVRKJJAPEJR-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.39
Rot. Bonds4

About N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide

N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide (PubChem CID 82860502) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
PubChem CID82860502
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC NameN-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(NN)c2)ccc1Br
InChIInChI=1S/C13H13BrN4O2/c1-20-11-7-9(2-3-10(11)14)17-13(19)8-4-5-16-12(6-8)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyKCVXVRKJJAPEJR-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-(4-bromo-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 82859455
N-(4-bromophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62247582
N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388543
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 114326705
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
CID 82867341
4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
CID 82859976
2-hydrazinyl-N-naphthalen-2-ylpyridine-4-carboxamide
CID 62248189
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
N-(4-bromo-3-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110863112

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide (CID 82860502) is N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide is COc1cc(NC(=O)c2ccnc(NN)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is KCVXVRKJJAPEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-20-11-7-9(2-3-10(11)14)17-13(19)8-4-5-16-12(6-8)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide?
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-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-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 82860502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).