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

C12H20N4O — CID 55213852

IUPAC3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
SMILESCCN(Cc1ccncc1)CC(C)C(=O)NN
InChIInChI=1S/C12H20N4O/c1-3-16(8-10(2)12(17)15-13)9-11-4-6-14-7-5-11/h4-7,10H,3,8-9,13H2,1-2H3,(H,15,17)
InChIKeyVLQGODGMSDXKPP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.53
Rot. Bonds6

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

3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide (PubChem CID 55213852) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
PubChem CID55213852
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
SMILESCCN(Cc1ccncc1)CC(C)C(=O)NN
InChIInChI=1S/C12H20N4O/c1-3-16(8-10(2)12(17)15-13)9-11-4-6-14-7-5-11/h4-7,10H,3,8-9,13H2,1-2H3,(H,15,17)
InChIKeyVLQGODGMSDXKPP-UHFFFAOYSA-N
XLogP0.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.53
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'}

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Related Compounds

2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide
CID 79408797
3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63584520
1-N-ethyl-4-methyl-1-N-(pyridin-4-ylmethyl)pentane-1,2-diamine
CID 54948017
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 112561407
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 54948256
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide?
The IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide (CID 55213852) is 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide.
What is the SMILES notation for 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide?
The canonical SMILES for 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide is CCN(Cc1ccncc1)CC(C)C(=O)NN.
What is the InChIKey of 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide?
The InChIKey is VLQGODGMSDXKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16(8-10(2)12(17)15-13)9-11-4-6-14-7-5-11/h4-7,10H,3,8-9,13H2,1-2H3,(H,15,17).
What are the key properties of 3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide?
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide has a molecular weight of 236.32 g/mol, XLogP of 0.53, 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-methylpropanehydrazide is sourced from PubChem (CID 55213852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).