N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide

C15H14FN3O3 — CID 30836930

IUPACN'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FN3O3/c1-10(20)17-18-14(21)13-3-2-8-19(15(13)22)9-11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyNEUVMUVSZQBLIH-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.82
Rot. Bonds3

About N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide

N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide (PubChem CID 30836930) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
PubChem CID30836930
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC NameN'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FN3O3/c1-10(20)17-18-14(21)13-3-2-8-19(15(13)22)9-11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyNEUVMUVSZQBLIH-UHFFFAOYSA-N
XLogP0.82
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.82
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'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide (CID 30836930) is N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide is CC(=O)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The InChIKey is NEUVMUVSZQBLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-10(20)17-18-14(21)13-3-2-8-19(15(13)22)9-11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide has a molecular weight of 303.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 30836930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).