2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide

C19H16FN3O3S — CID 26120751

IUPAC2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FN3O3S/c1-2-26-19-14(4-3-11-21-19)17(24)22-23-18(25)16-10-9-15(27-16)12-5-7-13(20)8-6-12/h3-11H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyZSZZKMDNJJTJQG-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.42
Rot. Bonds5

About 2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide

2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide (PubChem CID 26120751) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide
PubChem CID26120751
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FN3O3S/c1-2-26-19-14(4-3-11-21-19)17(24)22-23-18(25)16-10-9-15(27-16)12-5-7-13(20)8-6-12/h3-11H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyZSZZKMDNJJTJQG-UHFFFAOYSA-N
XLogP3.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)nicotinamide
CID 18734933
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide
CID 4785569
US9776991, Example 57
CID 118112583
2-ethoxy-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide
CID 24819857
N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 24979560
3-(2-Phenylethoxy)-5-pyridin-4-ylthiophene-2-carboxamide
CID 145974641
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-ethoxypyridine-3-carboxamide
CID 45875547
3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide
CID 162393519
Ethyl 5-ethyl-2-[(2-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 2799306
2-methoxy-N-(2-(thiophen-3-yl)benzyl)nicotinamide
CID 76149286
6-ethoxy-N-((5-(thiophen-2-yl)pyridin-3-yl)methyl)nicotinamide
CID 91630677

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide (CID 26120751) is 2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide is CCOc1ncccc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide?
The InChIKey is ZSZZKMDNJJTJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-2-26-19-14(4-3-11-21-19)17(24)22-23-18(25)16-10-9-15(27-16)12-5-7-13(20)8-6-12/h3-11H,2H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide?
2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide has a molecular weight of 385.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 26120751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).