4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide

C16H19N3O — CID 59611643

IUPAC4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide
SMILESCC(C)c1ccc(C(=O)N(N)Cc2ccncc2)cc1
InChIInChI=1S/C16H19N3O/c1-12(2)14-3-5-15(6-4-14)16(20)19(17)11-13-7-9-18-10-8-13/h3-10,12H,11,17H2,1-2H3
InChIKeyFYZHGTFQTKWRQD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.72
Rot. Bonds4

About 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide

4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide (PubChem CID 59611643) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide.

Molecular Properties

Compound Name4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide
PubChem CID59611643
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide
SMILESCC(C)c1ccc(C(=O)N(N)Cc2ccncc2)cc1
InChIInChI=1S/C16H19N3O/c1-12(2)14-3-5-15(6-4-14)16(20)19(17)11-13-7-9-18-10-8-13/h3-10,12H,11,17H2,1-2H3
InChIKeyFYZHGTFQTKWRQD-UHFFFAOYSA-N
XLogP2.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide 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

5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide
CID 59611644
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 176647563
N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72910487
2-[amino(pyridin-4-ylmethyl)amino]propanamide
CID 68613777
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113120639
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide?
The IUPAC name of 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide (CID 59611643) is 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide.
What is the SMILES notation for 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide?
The canonical SMILES for 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide is CC(C)c1ccc(C(=O)N(N)Cc2ccncc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide?
The InChIKey is FYZHGTFQTKWRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(2)14-3-5-15(6-4-14)16(20)19(17)11-13-7-9-18-10-8-13/h3-10,12H,11,17H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide?
4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide has a molecular weight of 269.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide is sourced from PubChem (CID 59611643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).