6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide

C15H25N5O — CID 106909093

IUPAC6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide
SMILESCCC(C)N1CCN(Cc2cccc(C(=O)NN)n2)CC1
InChIInChI=1S/C15H25N5O/c1-3-12(2)20-9-7-19(8-10-20)11-13-5-4-6-14(17-13)15(21)18-16/h4-6,12H,3,7-11,16H2,1-2H3,(H,18,21)
InChIKeyAEUSFIWHRQBZQL-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.60
Rot. Bonds5

About 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide

6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide (PubChem CID 106909093) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide
PubChem CID106909093
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide
SMILESCCC(C)N1CCN(Cc2cccc(C(=O)NN)n2)CC1
InChIInChI=1S/C15H25N5O/c1-3-12(2)20-9-7-19(8-10-20)11-13-5-4-6-14(17-13)15(21)18-16/h4-6,12H,3,7-11,16H2,1-2H3,(H,18,21)
InChIKeyAEUSFIWHRQBZQL-UHFFFAOYSA-N
XLogP0.60
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide
CID 106908998
N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906436
ethane;1-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-1-one
CID 176942108
6-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909004
N-[1-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl]piperidin-4-yl]acetamide
CID 106909367
1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one
CID 163369559
6-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909097
6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909083
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015
6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 107395824
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 62773649

Frequently Asked Questions

What is the IUPAC name of 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide (CID 106909093) is 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide is CCC(C)N1CCN(Cc2cccc(C(=O)NN)n2)CC1.
What is the InChIKey of 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide?
The InChIKey is AEUSFIWHRQBZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-12(2)20-9-7-19(8-10-20)11-13-5-4-6-14(17-13)15(21)18-16/h4-6,12H,3,7-11,16H2,1-2H3,(H,18,21).
What are the key properties of 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide?
6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide has a molecular weight of 291.40 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).