N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide

C17H18BrN3O2 — CID 67865009

IUPACN'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1Br)C(=O)c1ccccn1
InChIInChI=1S/C17H18BrN3O2/c1-17(2,3)21(16(23)14-10-6-7-11-19-14)20-15(22)12-8-4-5-9-13(12)18/h4-11H,1-3H3,(H,20,22)
InChIKeyBHOVCDZLKQHETE-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.43
Rot. Bonds2

About N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide

N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide (PubChem CID 67865009) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide
PubChem CID67865009
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC NameN'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1Br)C(=O)c1ccccn1
InChIInChI=1S/C17H18BrN3O2/c1-17(2,3)21(16(23)14-10-6-7-11-19-14)20-15(22)12-8-4-5-9-13(12)18/h4-11H,1-3H3,(H,20,22)
InChIKeyBHOVCDZLKQHETE-UHFFFAOYSA-N
XLogP3.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
CID 15767551
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
2-bromo-N-tert-butyl-N'-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]benzohydrazide
CID 131717128
(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
CID 118836322
2-bromo-N-tert-butyl-N-methylbenzamide
CID 4597758
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557809
N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 110475836
N-methylpyridine-2-carbohydrazide
CID 45084309
1-[(2-bromobenzoyl)amino]-1-methylthiourea
CID 22300807
N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide
CID 141400792

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide (CID 67865009) is N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide is CC(C)(C)N(NC(=O)c1ccccc1Br)C(=O)c1ccccn1.
What is the InChIKey of N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide?
The InChIKey is BHOVCDZLKQHETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-17(2,3)21(16(23)14-10-6-7-11-19-14)20-15(22)12-8-4-5-9-13(12)18/h4-11H,1-3H3,(H,20,22).
What are the key properties of N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide?
N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide has a molecular weight of 376.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide is sourced from PubChem (CID 67865009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).