N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide

C13H13BrN4O — CID 62235842

IUPACN-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1cccc(C(=O)NCc2ccc(Br)cc2)n1
InChIInChI=1S/C13H13BrN4O/c14-10-6-4-9(5-7-10)8-16-13(19)11-2-1-3-12(17-11)18-15/h1-7H,8,15H2,(H,16,19)(H,17,18)
InChIKeyLMICZBZUWUHTNT-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.06
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide

N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide (PubChem CID 62235842) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
PubChem CID62235842
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1cccc(C(=O)NCc2ccc(Br)cc2)n1
InChIInChI=1S/C13H13BrN4O/c14-10-6-4-9(5-7-10)8-16-13(19)11-2-1-3-12(17-11)18-15/h1-7H,8,15H2,(H,16,19)(H,17,18)
InChIKeyLMICZBZUWUHTNT-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

6-hydrazinyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 63248051
N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62533307
6-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 63303779
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897774
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62237588
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
CID 64523807
6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-2-carboxamide
CID 62237016
N-(2,6-dibromophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107603480
N-[2-(dimethylamino)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62247180
6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62239102
6-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62237331
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide (CID 62235842) is N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide is NNc1cccc(C(=O)NCc2ccc(Br)cc2)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is LMICZBZUWUHTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c14-10-6-4-9(5-7-10)8-16-13(19)11-2-1-3-12(17-11)18-15/h1-7H,8,15H2,(H,16,19)(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
N-[(4-bromophenyl)methyl]-6-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-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62235842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).