6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide

C13H20N4O — CID 106909015

IUPAC6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
SMILESCC1CCCN(Cc2cccc(C(=O)NN)n2)C1
InChIInChI=1S/C13H20N4O/c1-10-4-3-7-17(8-10)9-11-5-2-6-12(15-11)13(18)16-14/h2,5-6,10H,3-4,7-9,14H2,1H3,(H,16,18)
InChIKeyGAAOSVITBXCLKE-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.92
Rot. Bonds3

About 6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide

6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide (PubChem CID 106909015) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
PubChem CID106909015
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
SMILESCC1CCCN(Cc2cccc(C(=O)NN)n2)C1
InChIInChI=1S/C13H20N4O/c1-10-4-3-7-17(8-10)9-11-5-2-6-12(15-11)13(18)16-14/h2,5-6,10H,3-4,7-9,14H2,1H3,(H,16,18)
InChIKeyGAAOSVITBXCLKE-UHFFFAOYSA-N
XLogP0.92
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
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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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide (CID 106909015) is 6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide is CC1CCCN(Cc2cccc(C(=O)NN)n2)C1.
What is the InChIKey of 6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide?
The InChIKey is GAAOSVITBXCLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-4-3-7-17(8-10)9-11-5-2-6-12(15-11)13(18)16-14/h2,5-6,10H,3-4,7-9,14H2,1H3,(H,16,18).
What are the key properties of 6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide?
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide has a molecular weight of 248.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).