3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide

C11H18N4O — CID 63584520

IUPAC3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
SMILESCCN(CCC(=O)NN)Cc1ccncc1
InChIInChI=1S/C11H18N4O/c1-2-15(8-5-11(16)14-12)9-10-3-6-13-7-4-10/h3-4,6-7H,2,5,8-9,12H2,1H3,(H,14,16)
InChIKeyAVSWDWRYUDTCHB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.28
Rot. Bonds6

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

3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide (PubChem CID 63584520) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
PubChem CID63584520
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
SMILESCCN(CCC(=O)NN)Cc1ccncc1
InChIInChI=1S/C11H18N4O/c1-2-15(8-5-11(16)14-12)9-10-3-6-13-7-4-10/h3-4,6-7H,2,5,8-9,12H2,1H3,(H,14,16)
InChIKeyAVSWDWRYUDTCHB-UHFFFAOYSA-N
XLogP0.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.28
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-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503
3-[2-oxopropyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82329113
6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one
CID 106801340
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
CID 55213852
2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351648
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585819
1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
3-[heptyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82328776
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide
CID 79408797

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide?
The IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide (CID 63584520) is 3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide.
What is the SMILES notation for 3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide?
The canonical SMILES for 3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide is CCN(CCC(=O)NN)Cc1ccncc1.
What is the InChIKey of 3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide?
The InChIKey is AVSWDWRYUDTCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-15(8-5-11(16)14-12)9-10-3-6-13-7-4-10/h3-4,6-7H,2,5,8-9,12H2,1H3,(H,14,16).
What are the key properties of 3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide?
3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide has a molecular weight of 222.29 g/mol, XLogP of 0.28, 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]propanehydrazide is sourced from PubChem (CID 63584520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).