N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

C16H16F3N3O3S — CID 31967694

IUPACN'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2cccnc2OCC(F)(F)F)cc1C
InChIInChI=1S/C16H16F3N3O3S/c1-3-11-9(2)7-12(26-11)14(24)22-21-13(23)10-5-4-6-20-15(10)25-8-16(17,18)19/h4-7H,3,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOROUSMJVCHVERR-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.03
Rot. Bonds5

About N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (PubChem CID 31967694) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
PubChem CID31967694
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2cccnc2OCC(F)(F)F)cc1C
InChIInChI=1S/C16H16F3N3O3S/c1-3-11-9(2)7-12(26-11)14(24)22-21-13(23)10-5-4-6-20-15(10)25-8-16(17,18)19/h4-7H,3,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOROUSMJVCHVERR-UHFFFAOYSA-N
XLogP3.03
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.03
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

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
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-ethoxypyridine-3-carboxamide
CID 45875547
N-[(2-Methoxypyridin-3-YL)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 53185023
Ethyl 5-ethyl-2-[(2-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 2799306
N-[(2-ethoxypyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide
CID 37488221
N,N-Dimethyl-2-{[1-(thiophene-2-carbonyl)pyrrolidin-3-YL]oxy}pyridine-3-carboxamide
CID 91904262
N-Ethyl-2-{[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-YL]oxy}pyridine-3-carboxamide
CID 91904301
N~3~,N~3~-Dimethyl-6-({1-[(5-methyl-2-thienyl)carbonyl]-4-piperidyl}oxy)nicotinamide
CID 91914103
2-Propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 134787012

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The IUPAC name of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (CID 31967694) is N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2cccnc2OCC(F)(F)F)cc1C.
What is the InChIKey of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The InChIKey is OROUSMJVCHVERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-3-11-9(2)7-12(26-11)14(24)22-21-13(23)10-5-4-6-20-15(10)25-8-16(17,18)19/h4-7H,3,8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide has a molecular weight of 387.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is sourced from PubChem (CID 31967694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).