4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide

C11H18N4O — CID 63571806

IUPAC4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
SMILESCN(CCCC(=O)NN)Cc1cccnc1
InChIInChI=1S/C11H18N4O/c1-15(7-3-5-11(16)14-12)9-10-4-2-6-13-8-10/h2,4,6,8H,3,5,7,9,12H2,1H3,(H,14,16)
InChIKeyOESUVRTYYDTFJP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.28
Rot. Bonds6

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

4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide (PubChem CID 63571806) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide.

Molecular Properties

Compound Name4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
PubChem CID63571806
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
SMILESCN(CCCC(=O)NN)Cc1cccnc1
InChIInChI=1S/C11H18N4O/c1-15(7-3-5-11(16)14-12)9-10-4-2-6-13-8-10/h2,4,6,8H,3,5,7,9,12H2,1H3,(H,14,16)
InChIKeyOESUVRTYYDTFJP-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

N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
2-[methyl(pyridin-3-ylmethyl)amino]propanehydrazide
CID 63571441
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
CID 63572869
4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 43563730
ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
CID 159498879
1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62629518

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide?
The IUPAC name of 4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide (CID 63571806) is 4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide.
What is the SMILES notation for 4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide?
The canonical SMILES for 4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide is CN(CCCC(=O)NN)Cc1cccnc1.
What is the InChIKey of 4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide?
The InChIKey is OESUVRTYYDTFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(7-3-5-11(16)14-12)9-10-4-2-6-13-8-10/h2,4,6,8H,3,5,7,9,12H2,1H3,(H,14,16).
What are the key properties of 4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide?
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide 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 4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide is sourced from PubChem (CID 63571806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).