ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate

C14H19F3N4O4 — CID 121267777

IUPACethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)N(C)CCOC
InChIInChI=1S/C14H19F3N4O4/c1-4-25-12(22)9-5-6-10(14(15,16)17)18-11(9)19-20-13(23)21(2)7-8-24-3/h5-6H,4,7-8H2,1-3H3,(H,18,19)(H,20,23)
InChIKeyUKQPDOUJDXDGHT-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.89
Rot. Bonds7

About ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 121267777) has the molecular formula C14H19F3N4O4 and a molecular weight of 364.32 g/mol. Its IUPAC name is ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID121267777
Molecular FormulaC14H19F3N4O4
Molecular Weight364.32 g/mol
Exact Mass364.14
IUPAC Nameethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)N(C)CCOC
InChIInChI=1S/C14H19F3N4O4/c1-4-25-12(22)9-5-6-10(14(15,16)17)18-11(9)19-20-13(23)21(2)7-8-24-3/h5-6H,4,7-8H2,1-3H3,(H,18,19)(H,20,23)
InChIKeyUKQPDOUJDXDGHT-UHFFFAOYSA-N
XLogP1.89
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 19791830
ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523887
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843308
N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 89007598
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 62844186
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
2-[2-(dimethylamino)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877024
methyl 2-(dimethylcarbamothioyloxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 54373048
ethyl (2E)-2-[2-(methoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylpropanoylhydrazinylidene)acetate
CID 144723042

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate (CID 121267777) is ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)N(C)CCOC.
What is the InChIKey of ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is UKQPDOUJDXDGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O4/c1-4-25-12(22)9-5-6-10(14(15,16)17)18-11(9)19-20-13(23)21(2)7-8-24-3/h5-6H,4,7-8H2,1-3H3,(H,18,19)(H,20,23).
What are the key properties of ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 364.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 121267777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).