N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride

C12H21Cl2N3O2 — CID 174647612

IUPACN',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride
SMILESCCN(CC)NC(=O)CC(O)c1ccncc1.Cl.Cl
InChIInChI=1S/C12H19N3O2.2ClH/c1-3-15(4-2)14-12(17)9-11(16)10-5-7-13-8-6-10;;/h5-8,11,16H,3-4,9H2,1-2H3,(H,14,17);2*1H
InChIKeyXIRGTMCBPROEAN-UHFFFAOYSA-N
MW310.22 g/mol
LogP1.72
Rot. Bonds6

About N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride

N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride (PubChem CID 174647612) has the molecular formula C12H21Cl2N3O2 and a molecular weight of 310.22 g/mol. Its IUPAC name is N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride.

Molecular Properties

Compound NameN',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride
PubChem CID174647612
Molecular FormulaC12H21Cl2N3O2
Molecular Weight310.22 g/mol
Exact Mass309.10
IUPAC NameN',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride
SMILESCCN(CC)NC(=O)CC(O)c1ccncc1.Cl.Cl
InChIInChI=1S/C12H19N3O2.2ClH/c1-3-15(4-2)14-12(17)9-11(16)10-5-7-13-8-6-10;;/h5-8,11,16H,3-4,9H2,1-2H3,(H,14,17);2*1H
InChIKeyXIRGTMCBPROEAN-UHFFFAOYSA-N
XLogP1.72
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride?
The IUPAC name of N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride (CID 174647612) is N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride.
What is the SMILES notation for N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride?
The canonical SMILES for N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride is CCN(CC)NC(=O)CC(O)c1ccncc1.Cl.Cl.
What is the InChIKey of N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride?
The InChIKey is XIRGTMCBPROEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.2ClH/c1-3-15(4-2)14-12(17)9-11(16)10-5-7-13-8-6-10;;/h5-8,11,16H,3-4,9H2,1-2H3,(H,14,17);2*1H.
What are the key properties of N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride?
N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride has a molecular weight of 310.22 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-3-hydroxy-3-pyridin-4-ylpropanehydrazide;dihydrochloride is sourced from PubChem (CID 174647612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).