N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide

C17H18BrN3O2 — CID 4731414

IUPACN'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NNC(=O)c2ccccc2Br)ccn1
InChIInChI=1S/C17H18BrN3O2/c1-17(2,3)14-10-11(8-9-19-14)15(22)20-21-16(23)12-6-4-5-7-13(12)18/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChIKeyWOAWWXOPSQHCKE-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.22
Rot. Bonds2

About N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide

N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide (PubChem CID 4731414) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide
PubChem CID4731414
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC NameN'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NNC(=O)c2ccccc2Br)ccn1
InChIInChI=1S/C17H18BrN3O2/c1-17(2,3)14-10-11(8-9-19-14)15(22)20-21-16(23)12-6-4-5-7-13(12)18/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChIKeyWOAWWXOPSQHCKE-UHFFFAOYSA-N
XLogP3.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 4731308
N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide
CID 4924985
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
CID 110444823
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide
CID 3399843
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4981868
2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17139785
N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151370

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide (CID 4731414) is N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide is CC(C)(C)c1cc(C(=O)NNC(=O)c2ccccc2Br)ccn1.
What is the InChIKey of N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide?
The InChIKey is WOAWWXOPSQHCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-17(2,3)14-10-11(8-9-19-14)15(22)20-21-16(23)12-6-4-5-7-13(12)18/h4-10H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide?
N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide has a molecular weight of 376.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide is sourced from PubChem (CID 4731414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).