N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C17H17F3N2O3 — CID 51123932

IUPACN-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCOCc1cccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1
InChIInChI=1S/C17H17F3N2O3/c1-2-25-10-12-5-3-4-11(8-12)9-21-15(23)13-6-7-14(17(18,19)20)22-16(13)24/h3-8H,2,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKLJXCDFTIBYLDX-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.86
Rot. Bonds6

About N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 51123932) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID51123932
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC NameN-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCOCc1cccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1
InChIInChI=1S/C17H17F3N2O3/c1-2-25-10-12-5-3-4-11(8-12)9-21-15(23)13-6-7-14(17(18,19)20)22-16(13)24/h3-8H,2,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKLJXCDFTIBYLDX-UHFFFAOYSA-N
XLogP2.86
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 51123932) is N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCOCc1cccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1.
What is the InChIKey of N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KLJXCDFTIBYLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-2-25-10-12-5-3-4-11(8-12)9-21-15(23)13-6-7-14(17(18,19)20)22-16(13)24/h3-8H,2,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethoxymethyl)phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51123932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).