N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide

C17H21N3O — CID 19368177

IUPACN'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide
SMILESCN(N(C(=O)c1ccccc1)c1ccccn1)C(C)(C)C
InChIInChI=1S/C17H21N3O/c1-17(2,3)19(4)20(15-12-8-9-13-18-15)16(21)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKeyCRNQIDHNTIHKBF-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.37
Rot. Bonds3

About N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide

N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide (PubChem CID 19368177) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide
PubChem CID19368177
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide
SMILESCN(N(C(=O)c1ccccc1)c1ccccn1)C(C)(C)C
InChIInChI=1S/C17H21N3O/c1-17(2,3)19(4)20(15-12-8-9-13-18-15)16(21)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKeyCRNQIDHNTIHKBF-UHFFFAOYSA-N
XLogP3.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
N-methyl-4-phenyl-N-pyridin-2-ylbenzamide
CID 51051172
2,2-dimethyl-N,N-dipyridin-2-ylpropanamide
CID 66628090
2-amino-N,2-dimethyl-N-pyridin-2-ylpropanamide
CID 61265385
3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide
CID 87590949
3-[4-[methyl(pyridin-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 54128351
N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
CID 15767551
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide
CID 3748947
N-pyrimidin-2-ylbenzohydrazide
CID 140615438
N-bromo-N-tert-butylbenzamide
CID 141466989

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide (CID 19368177) is N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide is CN(N(C(=O)c1ccccc1)c1ccccn1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide?
The InChIKey is CRNQIDHNTIHKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2,3)19(4)20(15-12-8-9-13-18-15)16(21)14-10-6-5-7-11-14/h5-13H,1-4H3.
What are the key properties of N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide?
N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide has a molecular weight of 283.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide is sourced from PubChem (CID 19368177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).