N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide

C17H19N3O2 — CID 15767551

IUPACN'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C17H19N3O2/c1-17(2,3)20(16(22)14-11-7-8-12-18-14)19-15(21)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,21)
InChIKeyZOTPBGPOCMLRFE-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.67
Rot. Bonds2

About N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide

N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide (PubChem CID 15767551) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
PubChem CID15767551
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C17H19N3O2/c1-17(2,3)20(16(22)14-11-7-8-12-18-14)19-15(21)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,21)
InChIKeyZOTPBGPOCMLRFE-UHFFFAOYSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.67
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'-(2-bromobenzoyl)-N-tert-butylpyridine-2-carbohydrazide
CID 67865009
N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
CID 23276915
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
CID 23276721
N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide
CID 88511289
[2-acetyloxy-4-[benzamido(tert-butyl)carbamoyl]phenyl] acetate
CID 134114626
N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide
CID 134100549
N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide
CID 14626553
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 110475836
N-phenacylpyridine-2-carboxamide
CID 64991609

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide (CID 15767551) is N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide is CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccn1.
What is the InChIKey of N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide?
The InChIKey is ZOTPBGPOCMLRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(2,3)20(16(22)14-11-7-8-12-18-14)19-15(21)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,21).
What are the key properties of N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide?
N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide has a molecular weight of 297.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide is sourced from PubChem (CID 15767551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).