N-(pyridin-3-ylmethyl)propanehydrazide

C9H13N3O — CID 70312825

IUPACN-(pyridin-3-ylmethyl)propanehydrazide
SMILESCCC(=O)N(N)Cc1cccnc1
InChIInChI=1S/C9H13N3O/c1-2-9(13)12(10)7-8-4-3-5-11-6-8/h3-6H,2,7,10H2,1H3
InChIKeyJGHGRNGMXCZUHL-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.69
Rot. Bonds3

About N-(pyridin-3-ylmethyl)propanehydrazide

N-(pyridin-3-ylmethyl)propanehydrazide (PubChem CID 70312825) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)propanehydrazide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)propanehydrazide
PubChem CID70312825
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(pyridin-3-ylmethyl)propanehydrazide
SMILESCCC(=O)N(N)Cc1cccnc1
InChIInChI=1S/C9H13N3O/c1-2-9(13)12(10)7-8-4-3-5-11-6-8/h3-6H,2,7,10H2,1H3
InChIKeyJGHGRNGMXCZUHL-UHFFFAOYSA-N
XLogP0.69
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.69
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 N-(pyridin-3-ylmethyl)propanehydrazide 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

1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-propyl-N-(2-pyridin-3-ylethyl)propanamide
CID 10262913
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110426899
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)propanehydrazide?
The IUPAC name of N-(pyridin-3-ylmethyl)propanehydrazide (CID 70312825) is N-(pyridin-3-ylmethyl)propanehydrazide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)propanehydrazide?
The canonical SMILES for N-(pyridin-3-ylmethyl)propanehydrazide is CCC(=O)N(N)Cc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)propanehydrazide?
The InChIKey is JGHGRNGMXCZUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-9(13)12(10)7-8-4-3-5-11-6-8/h3-6H,2,7,10H2,1H3.
What are the key properties of N-(pyridin-3-ylmethyl)propanehydrazide?
N-(pyridin-3-ylmethyl)propanehydrazide has a molecular weight of 179.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)propanehydrazide is sourced from PubChem (CID 70312825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).