N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide

C14H15BrN4O — CID 62243531

IUPACN-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cccnc1NN
InChIInChI=1S/C14H15BrN4O/c1-19(9-10-4-6-11(15)7-5-10)14(20)12-3-2-8-17-13(12)18-16/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyXVKQDCZRRCDGHX-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.40
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide

N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide (PubChem CID 62243531) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide
PubChem CID62243531
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC NameN-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cccnc1NN
InChIInChI=1S/C14H15BrN4O/c1-19(9-10-4-6-11(15)7-5-10)14(20)12-3-2-8-17-13(12)18-16/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyXVKQDCZRRCDGHX-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-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62176252
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62176798
2-hydrazinyl-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62241293
N-(cyclopropylmethyl)-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62235862
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243894
2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 55687965
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
2-bromo-N-[(4-cyanophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103754344
N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 78906458
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
N-ethyl-2-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62242635

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide (CID 62243531) is N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1cccnc1NN.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide?
The InChIKey is XVKQDCZRRCDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19(9-10-4-6-11(15)7-5-10)14(20)12-3-2-8-17-13(12)18-16/h2-8H,9,16H2,1H3,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide?
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-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-3-carboxamide is sourced from PubChem (CID 62243531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).