3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide

C13H22N4O — CID 79408797

IUPAC3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide
SMILESCCN(Cc1ccncc1)C(C)C(C)C(=O)NN
InChIInChI=1S/C13H22N4O/c1-4-17(9-12-5-7-15-8-6-12)11(3)10(2)13(18)16-14/h5-8,10-11H,4,9,14H2,1-3H3,(H,16,18)
InChIKeyQKIQUJRLCRYSAQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.92
Rot. Bonds6

About 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide

3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide (PubChem CID 79408797) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide
PubChem CID79408797
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide
SMILESCCN(Cc1ccncc1)C(C)C(C)C(=O)NN
InChIInChI=1S/C13H22N4O/c1-4-17(9-12-5-7-15-8-6-12)11(3)10(2)13(18)16-14/h5-8,10-11H,4,9,14H2,1-3H3,(H,16,18)
InChIKeyQKIQUJRLCRYSAQ-UHFFFAOYSA-N
XLogP0.92
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide 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

3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
CID 55213852
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63584520
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 62431481
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate
CID 112548725
3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
CID 79409219
2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76915276
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide?
The IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide (CID 79408797) is 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide is CCN(Cc1ccncc1)C(C)C(C)C(=O)NN.
What is the InChIKey of 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide?
The InChIKey is QKIQUJRLCRYSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17(9-12-5-7-15-8-6-12)11(3)10(2)13(18)16-14/h5-8,10-11H,4,9,14H2,1-3H3,(H,16,18).
What are the key properties of 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide?
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide has a molecular weight of 250.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide is sourced from PubChem (CID 79408797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).