ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide

C18H28N6O3 — CID 159498879

IUPACethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
SMILESCCOC(=O)CCc1cccnc1.NN.NNC(=O)CCc1cccnc1
InChIInChI=1S/C10H13NO2.C8H11N3O.H4N2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9;9-11-8(12)4-3-7-2-1-5-10-6-7;1-2/h3-4,7-8H,2,5-6H2,1H3;1-2,5-6H,3-4,9H2,(H,11,12);1-2H2
InChIKeyLZDBBFVFLPALRI-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.40
Rot. Bonds7

About ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide

ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide (PubChem CID 159498879) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide.

Molecular Properties

Compound Nameethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
PubChem CID159498879
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Nameethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
SMILESCCOC(=O)CCc1cccnc1.NN.NNC(=O)CCc1cccnc1
InChIInChI=1S/C10H13NO2.C8H11N3O.H4N2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9;9-11-8(12)4-3-7-2-1-5-10-6-7;1-2/h3-4,7-8H,2,5-6H2,1H3;1-2,5-6H,3-4,9H2,(H,11,12);1-2H2
InChIKeyLZDBBFVFLPALRI-UHFFFAOYSA-N
XLogP0.40
TPSA159.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
3-butylpyridine;ethyl dodecanoate;hydrobromide
CID 175058643
3-[4-(pyridin-3-ylmethoxy)phenyl]propanehydrazide
CID 91686906
ethyl 3-[2-[(pyridin-3-ylmethylamino)methyl]phenyl]propanoate
CID 139608840
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
ethyl 3-oxo-4-pyridin-3-ylbutanoate
CID 62551209
ethyl 3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate
CID 19711405
ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate
CID 61410175
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357

Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide?
The IUPAC name of ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide (CID 159498879) is ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide.
What is the SMILES notation for ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide?
The canonical SMILES for ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide is CCOC(=O)CCc1cccnc1.NN.NNC(=O)CCc1cccnc1.
What is the InChIKey of ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide?
The InChIKey is LZDBBFVFLPALRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C8H11N3O.H4N2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9;9-11-8(12)4-3-7-2-1-5-10-6-7;1-2/h3-4,7-8H,2,5-6H2,1H3;1-2,5-6H,3-4,9H2,(H,11,12);1-2H2.
What are the key properties of ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide?
ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide has a molecular weight of 376.46 g/mol, XLogP of 0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide is sourced from PubChem (CID 159498879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).