6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide

C12H20N4O — CID 106909022

IUPAC6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide
SMILESCCCCN(C)Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C12H20N4O/c1-3-4-8-16(2)9-10-6-5-7-11(14-10)12(17)15-13/h5-7H,3-4,8-9,13H2,1-2H3,(H,15,17)
InChIKeyXEUFMOMYRXKQSE-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.92
Rot. Bonds6

About 6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide

6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide (PubChem CID 106909022) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide
PubChem CID106909022
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide
SMILESCCCCN(C)Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C12H20N4O/c1-3-4-8-16(2)9-10-6-5-7-11(14-10)12(17)15-13/h5-7H,3-4,8-9,13H2,1-2H3,(H,15,17)
InChIKeyXEUFMOMYRXKQSE-UHFFFAOYSA-N
XLogP0.92
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.92
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-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-methylamino]-N-methylpropanamide
CID 106918242
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909041
6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909075
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909258
6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909145
6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide
CID 106909203
2-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
CID 106909180
6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909021
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748
methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate
CID 106905121
6-[[bis(cyclopropylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909293
6-[[cyclopropyl(2-methoxyethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909183

Frequently Asked Questions

What is the IUPAC name of 6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide (CID 106909022) is 6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide is CCCCN(C)Cc1cccc(C(=O)NN)n1.
What is the InChIKey of 6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide?
The InChIKey is XEUFMOMYRXKQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-4-8-16(2)9-10-6-5-7-11(14-10)12(17)15-13/h5-7H,3-4,8-9,13H2,1-2H3,(H,15,17).
What are the key properties of 6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide?
6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide has a molecular weight of 236.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).