N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide

C12H17FN4O — CID 123425536

IUPACN'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide
SMILESCN1CCCCC1C(=O)NNc1ccc(F)cn1
InChIInChI=1S/C12H17FN4O/c1-17-7-3-2-4-10(17)12(18)16-15-11-6-5-9(13)8-14-11/h5-6,8,10H,2-4,7H2,1H3,(H,14,15)(H,16,18)
InChIKeyUNMRKJXCUIWWMT-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.15
Rot. Bonds3

About N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide

N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide (PubChem CID 123425536) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide
PubChem CID123425536
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC NameN'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide
SMILESCN1CCCCC1C(=O)NNc1ccc(F)cn1
InChIInChI=1S/C12H17FN4O/c1-17-7-3-2-4-10(17)12(18)16-15-11-6-5-9(13)8-14-11/h5-6,8,10H,2-4,7H2,1H3,(H,14,15)(H,16,18)
InChIKeyUNMRKJXCUIWWMT-UHFFFAOYSA-N
XLogP1.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide (CID 123425536) is N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide is CN1CCCCC1C(=O)NNc1ccc(F)cn1.
What is the InChIKey of N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide?
The InChIKey is UNMRKJXCUIWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-17-7-3-2-4-10(17)12(18)16-15-11-6-5-9(13)8-14-11/h5-6,8,10H,2-4,7H2,1H3,(H,14,15)(H,16,18).
What are the key properties of N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide?
N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide has a molecular weight of 252.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide is sourced from PubChem (CID 123425536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).