N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide

C13H13FN4O2 — CID 118039720

IUPACN'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCc1nc(F)ccc1NNC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C13H13FN4O2/c1-8-10(4-5-11(14)15-8)16-17-13(20)9-3-6-12(19)18(2)7-9/h3-7,16H,1-2H3,(H,17,20)
InChIKeyLXSXPZDBBCEBQP-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.98
Rot. Bonds3

About N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide

N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide (PubChem CID 118039720) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide
PubChem CID118039720
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC NameN'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCc1nc(F)ccc1NNC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C13H13FN4O2/c1-8-10(4-5-11(14)15-8)16-17-13(20)9-3-6-12(19)18(2)7-9/h3-7,16H,1-2H3,(H,17,20)
InChIKeyLXSXPZDBBCEBQP-UHFFFAOYSA-N
XLogP0.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide (CID 118039720) is N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide is Cc1nc(F)ccc1NNC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The InChIKey is LXSXPZDBBCEBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-8-10(4-5-11(14)15-8)16-17-13(20)9-3-6-12(19)18(2)7-9/h3-7,16H,1-2H3,(H,17,20).
What are the key properties of N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide has a molecular weight of 276.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-fluoro-2-methyl-3-pyridinyl)-1-methyl-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 118039720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).