N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide

C14H15BrN4O — CID 62243894

IUPACN-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccnc(NN)c1
InChIInChI=1S/C14H15BrN4O/c1-19(9-10-2-4-12(15)5-3-10)14(20)11-6-7-17-13(8-11)18-16/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyMCQIJGKFOKVZKM-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.40
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide

N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide (PubChem CID 62243894) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
PubChem CID62243894
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC NameN-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccnc(NN)c1
InChIInChI=1S/C14H15BrN4O/c1-19(9-10-2-4-12(15)5-3-10)14(20)11-6-7-17-13(8-11)18-16/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyMCQIJGKFOKVZKM-UHFFFAOYSA-N
XLogP2.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
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

N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62236819
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 62243535
N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62170882
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 64519698
2-hydrazinyl-N,N-dimethylpyridine-4-carboxamide
CID 62236400
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62173439
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-4-carboxamide
CID 103752068
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide
CID 61415701

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide (CID 62243894) is N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1ccnc(NN)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide?
The InChIKey is MCQIJGKFOKVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19(9-10-2-4-12(15)5-3-10)14(20)11-6-7-17-13(8-11)18-16/h2-8H,9,16H2,1H3,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide?
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 62243894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).