4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide

C12H20N4O — CID 63572869

IUPAC4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
SMILESCN(CCCC(=O)NN)CCc1ccccn1
InChIInChI=1S/C12H20N4O/c1-16(9-4-6-12(17)15-13)10-7-11-5-2-3-8-14-11/h2-3,5,8H,4,6-7,9-10,13H2,1H3,(H,15,17)
InChIKeyXHEQCKJCPRVSRW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.33
Rot. Bonds7

About 4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide

4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide (PubChem CID 63572869) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide.

Molecular Properties

Compound Name4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
PubChem CID63572869
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
SMILESCN(CCCC(=O)NN)CCc1ccccn1
InChIInChI=1S/C12H20N4O/c1-16(9-4-6-12(17)15-13)10-7-11-5-2-3-8-14-11/h2-3,5,8H,4,6-7,9-10,13H2,1H3,(H,15,17)
InChIKeyXHEQCKJCPRVSRW-UHFFFAOYSA-N
XLogP0.33
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.33
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

3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909041
methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate
CID 63027374
6-chloro-N-methyl-N-(2-pyridin-2-ylethyl)hexan-1-amine
CID 62229678
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687
3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640379
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573242
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide?
The IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide (CID 63572869) is 4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide.
What is the SMILES notation for 4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide?
The canonical SMILES for 4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide is CN(CCCC(=O)NN)CCc1ccccn1.
What is the InChIKey of 4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide?
The InChIKey is XHEQCKJCPRVSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16(9-4-6-12(17)15-13)10-7-11-5-2-3-8-14-11/h2-3,5,8H,4,6-7,9-10,13H2,1H3,(H,15,17).
What are the key properties of 4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide?
4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide has a molecular weight of 236.32 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide is sourced from PubChem (CID 63572869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).