N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide

C21H20BrN3O2 — CID 1070867

IUPACN'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide
SMILESCc1cccc(C(O)(C(=O)NNc2ccc(Br)cn2)c2cccc(C)c2)c1
InChIInChI=1S/C21H20BrN3O2/c1-14-5-3-7-16(11-14)21(27,17-8-4-6-15(2)12-17)20(26)25-24-19-10-9-18(22)13-23-19/h3-13,27H,1-2H3,(H,23,24)(H,25,26)
InChIKeyKUKBRPYDEMOIFF-UHFFFAOYSA-N
MW426.31 g/mol
LogP3.84
Rot. Bonds5

About N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide

N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide (PubChem CID 1070867) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide
PubChem CID1070867
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC NameN'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide
SMILESCc1cccc(C(O)(C(=O)NNc2ccc(Br)cn2)c2cccc(C)c2)c1
InChIInChI=1S/C21H20BrN3O2/c1-14-5-3-7-16(11-14)21(27,17-8-4-6-15(2)12-17)20(26)25-24-19-10-9-18(22)13-23-19/h3-13,27H,1-2H3,(H,23,24)(H,25,26)
InChIKeyKUKBRPYDEMOIFF-UHFFFAOYSA-N
XLogP3.84
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N',2,2-tris(3-methylphenyl)acetohydrazide
CID 4016272
tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide
CID 66849873
[(5-bromo-2-pyridinyl)amino]urea
CID 130626897
2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide
CID 1009881
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
methyl (2R)-2-hydroxy-2-(3-methylphenyl)propanoate
CID 56926601
methyl 2-bromo-2-(3-methylphenyl)propanoate
CID 146186295
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide
CID 2716307
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide (CID 1070867) is N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide is Cc1cccc(C(O)(C(=O)NNc2ccc(Br)cn2)c2cccc(C)c2)c1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide?
The InChIKey is KUKBRPYDEMOIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2/c1-14-5-3-7-16(11-14)21(27,17-8-4-6-15(2)12-17)20(26)25-24-19-10-9-18(22)13-23-19/h3-13,27H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide?
N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide has a molecular weight of 426.31 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide is sourced from PubChem (CID 1070867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).