2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide

C11H18N4O — CID 63571999

IUPAC2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
SMILESCC(CN(C)Cc1ccncc1)C(=O)NN
InChIInChI=1S/C11H18N4O/c1-9(11(16)14-12)7-15(2)8-10-3-5-13-6-4-10/h3-6,9H,7-8,12H2,1-2H3,(H,14,16)
InChIKeyZCJHWHQTTOMCMB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.14
Rot. Bonds5

About 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide

2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide (PubChem CID 63571999) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
PubChem CID63571999
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
SMILESCC(CN(C)Cc1ccncc1)C(=O)NN
InChIInChI=1S/C11H18N4O/c1-9(11(16)14-12)7-15(2)8-10-3-5-13-6-4-10/h3-6,9H,7-8,12H2,1-2H3,(H,14,16)
InChIKeyZCJHWHQTTOMCMB-UHFFFAOYSA-N
XLogP0.14
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.14
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide?
The IUPAC name of 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide (CID 63571999) is 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide.
What is the SMILES notation for 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide?
The canonical SMILES for 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide is CC(CN(C)Cc1ccncc1)C(=O)NN.
What is the InChIKey of 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide?
The InChIKey is ZCJHWHQTTOMCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(11(16)14-12)7-15(2)8-10-3-5-13-6-4-10/h3-6,9H,7-8,12H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide?
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide has a molecular weight of 222.29 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide is sourced from PubChem (CID 63571999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).