N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C10H11F3N2O3 — CID 89007598

IUPACN-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCc1nc(C(F)(F)F)ccc1C(=O)NOC
InChIInChI=1S/C10H11F3N2O3/c1-17-5-7-6(9(16)15-18-2)3-4-8(14-7)10(11,12)13/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyRVBDIOPEARYULS-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.54
Rot. Bonds4

About N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 89007598) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID89007598
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC NameN-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCc1nc(C(F)(F)F)ccc1C(=O)NOC
InChIInChI=1S/C10H11F3N2O3/c1-17-5-7-6(9(16)15-18-2)3-4-8(14-7)10(11,12)13/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyRVBDIOPEARYULS-UHFFFAOYSA-N
XLogP1.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 131492339
2-(methoxymethyl)-3-methyl-6-(trifluoromethyl)pyridine
CID 90397009
ethyl (2E)-2-[2-(methoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylpropanoylhydrazinylidene)acetate
CID 144723042
methyl 2-(2-hydroxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169434452
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-[hydroxy-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methylidene]cyclohexane-1,3-dione
CID 20749431
3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine
CID 144771514
(5R)-3-[hydroxy-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methylidene]bicyclo[3.2.1]octane-2,4-dione
CID 71113963
3-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carbonyl]bicyclo[3.2.1]octane-2,4-dione
CID 59428277
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 126564818
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 89007598) is N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is COCc1nc(C(F)(F)F)ccc1C(=O)NOC.
What is the InChIKey of N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RVBDIOPEARYULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-17-5-7-6(9(16)15-18-2)3-4-8(14-7)10(11,12)13/h3-4H,5H2,1-2H3,(H,15,16).
What are the key properties of N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 264.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 89007598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).