N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide

C13H13BrN4O — CID 113436329

IUPACN-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(C(=O)NCc2cccc(Br)c2)nc1
InChIInChI=1S/C13H13BrN4O/c14-10-3-1-2-9(6-10)7-17-13(19)12-5-4-11(18-15)8-16-12/h1-6,8,18H,7,15H2,(H,17,19)
InChIKeyBZGFXEULJDJUFZ-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.06
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide

N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide (PubChem CID 113436329) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide
PubChem CID113436329
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(C(=O)NCc2cccc(Br)c2)nc1
InChIInChI=1S/C13H13BrN4O/c14-10-3-1-2-9(6-10)7-17-13(19)12-5-4-11(18-15)8-16-12/h1-6,8,18H,7,15H2,(H,17,19)
InChIKeyBZGFXEULJDJUFZ-UHFFFAOYSA-N
XLogP2.06
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
CID 109188098
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188420
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
N-(4-bromo-2,6-dichlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642535
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639845

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide (CID 113436329) is N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide is NNc1ccc(C(=O)NCc2cccc(Br)c2)nc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide?
The InChIKey is BZGFXEULJDJUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c14-10-3-1-2-9(6-10)7-17-13(19)12-5-4-11(18-15)8-16-12/h1-6,8,18H,7,15H2,(H,17,19).
What are the key properties of N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide?
N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 113436329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).