1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide

C14H14FN3O2 — CID 82519598

IUPAC1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide
SMILESCCn1c(-c2ccc(F)cc2)ccc(C(=O)NN)c1=O
InChIInChI=1S/C14H14FN3O2/c1-2-18-12(9-3-5-10(15)6-4-9)8-7-11(14(18)20)13(19)17-16/h3-8H,2,16H2,1H3,(H,17,19)
InChIKeyXZUNAHXUBWZRRZ-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.28
Rot. Bonds3

About 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide

1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide (PubChem CID 82519598) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide
PubChem CID82519598
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide
SMILESCCn1c(-c2ccc(F)cc2)ccc(C(=O)NN)c1=O
InChIInChI=1S/C14H14FN3O2/c1-2-18-12(9-3-5-10(15)6-4-9)8-7-11(14(18)20)13(19)17-16/h3-8H,2,16H2,1H3,(H,17,19)
InChIKeyXZUNAHXUBWZRRZ-UHFFFAOYSA-N
XLogP1.28
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.28
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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Related Compounds

1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 48157449
1-butyl-3-phenyl-1H-pyrazol-5-ol
CID 2113959
N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23588031
4-Oxo-1-pentyl-6-phenyl-n3-(piperidin-1-yl)-1,4-dihydropyridine-3-carboxamide
CID 49820165
1-Benzyl-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 683539
N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide
CID 71660059
N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
CID 162658812
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
CID 162662575
2-Oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarbohydrazide
CID 2764879
1-(3,4-Difluorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarboxamide
CID 3844681
Cambridge id 6660117
CID 797062
2-Oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 3829072

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide (CID 82519598) is 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide is CCn1c(-c2ccc(F)cc2)ccc(C(=O)NN)c1=O.
What is the InChIKey of 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide?
The InChIKey is XZUNAHXUBWZRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-18-12(9-3-5-10(15)6-4-9)8-7-11(14(18)20)13(19)17-16/h3-8H,2,16H2,1H3,(H,17,19).
What are the key properties of 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide?
1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide has a molecular weight of 275.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 82519598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).