N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C11H12F3N3O3 — CID 139979934

IUPACN-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCON=CCNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O3/c1-19-7-20-17-5-4-16-10(18)8-6-15-3-2-9(8)11(12,13)14/h2-3,5-6H,4,7H2,1H3,(H,16,18)
InChIKeyDMNPRLREOYGBSS-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.44
Rot. Bonds6

About N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 139979934) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID139979934
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC NameN-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCON=CCNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O3/c1-19-7-20-17-5-4-16-10(18)8-6-15-3-2-9(8)11(12,13)14/h2-3,5-6H,4,7H2,1H3,(H,16,18)
InChIKeyDMNPRLREOYGBSS-UHFFFAOYSA-N
XLogP1.44
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide 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

N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139979948
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
N-[(2-chloro-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 87746830
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707574
N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983790
4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide
CID 139983759
N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139983800

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 139979934) is N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide is COCON=CCNC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DMNPRLREOYGBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-19-7-20-17-5-4-16-10(18)8-6-15-3-2-9(8)11(12,13)14/h2-3,5-6H,4,7H2,1H3,(H,16,18).
What are the key properties of N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 291.23 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139979934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).